2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane

C249H546N6O7 — CID 159761347

About 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane

2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane (PubChem CID 159761347) has the molecular formula C249H546N6O7 and a molecular weight of 3737.14 g/mol. Its IUPAC name is 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane.

Molecular Properties

• Compound Name: 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane
• PubChem CID: 159761347
• Molecular Formula: C249H546N6O7
• Molecular Weight: 3737.14 g/mol
• Exact Mass: 3734.26
• IUPAC Name: 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane
• SMILES: C.C.C.C.C.C.C.C.C.CC(C)CC(C(C)C)C(CC(C)C)C(C)C.CC(C)CC(C)(CC(C)C)OC(C)(CC(C)C)CC(C)C.CC(C)CC(C)(COCC(C)(CC(C)C)C(C)C)C(C)C.CC(C)CC(CC(C)C)(CC(C)C)CC(C)C.CC(C)CC(CC(C)C)OC(CC(C)C)CC(C)C.CC(C)CC(COCC(CC(C)C)C(C)C)C(C)C.CC(C)CCCN(CCCC(C)C)CN(CCCC(C)C)CCCC(C)C.CC(C)CCN(CCC(C)C)CN(CCC(C)C)CCC(C)C.CC(C)CN(CC(C)C)CN(CC(C)C)CC(C)C.CCC(CC(C)C)(CC(C)C)OC(CC)(CC(C)C)CC(C)C.CCC(COCC(CC)(CC(C)C)C(C)C)(CC(C)C)C(C)C.CCC(COCC(CC)(CC(C)C)CC(C)C)(CC(C)C)CC(C)C
• InChI: InChI=1S/C25H54N2.C24H50O.2C22H46O.C21H46N2.2C20H42O.2C18H38O.C17H38N2.C17H36.C16H34.9CH4/c1-22(2)13-9-17-26(18-10-14-23(3)4)21-27(19-11-15-24(5)6)20-12-16-25(7)8;1-11-23(13-19(3)4,14-20(5)6)17-25-18-24(12-2,15-21(7)8)16-22(9)10;1-11-21(19(7)8,13-17(3)4)15-23-16-22(12-2,20(9)10)14-18(5)6;1-11-21(13-17(3)4,14-18(5)6)23-22(12-2,15-19(7)8)16-20(9)10;1-18(2)9-13-22(14-10-19(3)4)17-23(15-11-20(5)6)16-12-21(7)8;1-15(2)11-19(9,17(5)6)13-21-14-20(10,18(7)8)12-16(3)4;1-15(2)11-19(9,12-16(3)4)21-20(10,13-17(5)6)14-18(7)8;1-13(2)9-17(15(5)6)11-19-12-18(16(7)8)10-14(3)4;1-13(2)9-17(10-14(3)4)19-18(11-15(5)6)12-16(7)8;1-14(2)9-18(10-15(3)4)13-19(11-16(5)6)12-17(7)8;1-13(2)9-17(10-14(3)4,11-15(5)6)12-16(7)8;1-11(2)9-15(13(5)6)16(14(7)8)10-12(3)4;;;;;;;;;/h22-25H,9-21H2,1-8H3;19-22H,11-18H2,1-10H3;2*17-20H,11-16H2,1-10H3;18-21H,9-17H2,1-8H3;2*15-18H,11-14H2,1-10H3;2*13-18H,9-12H2,1-8H3;14-17H,9-13H2,1-8H3;13-16H,9-12H2,1-8H3;11-16H,9-10H2,1-8H3;9*1H4
• InChIKey: NEXSGEVOAUSZJY-UHFFFAOYSA-N
• XLogP: 82.06
• TPSA: 84.05 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 135
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3737.14
LogP ≤ 5	82.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane?

The IUPAC name of 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane (CID 159761347) is 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane.

What is the SMILES notation for 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane?

The canonical SMILES for 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane is C.C.C.C.C.C.C.C.C.CC(C)CC(C(C)C)C(CC(C)C)C(C)C.CC(C)CC(C)(CC(C)C)OC(C)(CC(C)C)CC(C)C.CC(C)CC(C)(COCC(C)(CC(C)C)C(C)C)C(C)C.CC(C)CC(CC(C)C)(CC(C)C)CC(C)C.CC(C)CC(CC(C)C)OC(CC(C)C)CC(C)C.CC(C)CC(COCC(CC(C)C)C(C)C)C(C)C.CC(C)CCCN(CCCC(C)C)CN(CCCC(C)C)CCCC(C)C.CC(C)CCN(CCC(C)C)CN(CCC(C)C)CCC(C)C.CC(C)CN(CC(C)C)CN(CC(C)C)CC(C)C.CCC(CC(C)C)(CC(C)C)OC(CC)(CC(C)C)CC(C)C.CCC(COCC(CC)(CC(C)C)C(C)C)(CC(C)C)C(C)C.CCC(COCC(CC)(CC(C)C)CC(C)C)(CC(C)C)CC(C)C.

What is the InChIKey of 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane?

The InChIKey is NEXSGEVOAUSZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N2.C24H50O.2C22H46O.C21H46N2.2C20H42O.2C18H38O.C17H38N2.C17H36.C16H34.9CH4/c1-22(2)13-9-17-26(18-10-14-23(3)4)21-27(19-11-15-24(5)6)20-12-16-25(7)8;1-11-23(13-19(3)4,14-20(5)6)17-25-18-24(12-2,15-21(7)8)16-22(9)10;1-11-21(19(7)8,13-17(3)4)15-23-16-22(12-2,20(9)10)14-18(5)6;1-11-21(13-17(3)4,14-18(5)6)23-22(12-2,15-19(7)8)16-20(9)10;1-18(2)9-13-22(14-10-19(3)4)17-23(15-11-20(5)6)16-12-21(7)8;1-15(2)11-19(9,17(5)6)13-21-14-20(10,18(7)8)12-16(3)4;1-15(2)11-19(9,12-16(3)4)21-20(10,13-17(5)6)14-18(7)8;1-13(2)9-17(15(5)6)11-19-12-18(16(7)8)10-14(3)4;1-13(2)9-17(10-14(3)4)19-18(11-15(5)6)12-16(7)8;1-14(2)9-18(10-15(3)4)13-19(11-16(5)6)12-17(7)8;1-13(2)9-17(10-14(3)4,11-15(5)6)12-16(7)8;1-11(2)9-15(13(5)6)16(14(7)8)10-12(3)4;;;;;;;;;/h22-25H,9-21H2,1-8H3;19-22H,11-18H2,1-10H3;2*17-20H,11-16H2,1-10H3;18-21H,9-17H2,1-8H3;2*15-18H,11-14H2,1-10H3;2*13-18H,9-12H2,1-8H3;14-17H,9-13H2,1-8H3;13-16H,9-12H2,1-8H3;11-16H,9-10H2,1-8H3;9*1H4.

What are the key properties of 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane?

2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane has a molecular weight of 3737.14 g/mol, XLogP of 82.06, 135 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane;2,7-dimethyl-4,5-di(propan-2-yl)octane;4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane;2,5-dimethyl-3-[(4-methyl-2-propan-2-ylpentoxy)methyl]hexane;3-[(2,4-dimethyl-2-propan-2-ylpentoxy)methyl]-2,3,5-trimethylhexane;4-ethyl-4-(4-ethyl-2,6-dimethylheptan-4-yl)oxy-2,6-dimethylheptane;4-ethyl-4-[[2-ethyl-4-methyl-2-(2-methylpropyl)pentoxy]methyl]-2,6-dimethylheptane;3-ethyl-3-[(2-ethyl-4-methyl-2-propan-2-ylpentoxy)methyl]-2,5-dimethylhexane;methane;N,N,N',N'-tetrakis(3-methylbutyl)methanediamine;N,N,N',N'-tetrakis(4-methylpentyl)methanediamine;N,N,N',N'-tetrakis(2-methylpropyl)methanediamine;2,4,6-trimethyl-4-(2,4,6-trimethylheptan-4-yloxy)heptane is sourced from PubChem (CID 159761347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).