methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane

C48H108O5 — CID 157413852

IUPACmethane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane
SMILESC.CC(C)C(C)OC(C)(C)C.CCC(C)OC(C)(C)C.CCC(CC(C)C)OC(C)(C)C.CCC(CC)OC(C)(C)C.CCC(OC(C)(C)C)C(C)C
InChIInChI=1S/C11H24O.C10H22O.2C9H20O.C8H18O.CH4/c1-7-10(8-9(2)3)12-11(4,5)6;1-7-9(8(2)3)11-10(4,5)6;1-7(2)8(3)10-9(4,5)6;1-6-8(7-2)10-9(3,4)5;1-6-7(2)9-8(3,4)5;/h9-10H,7-8H2,1-6H3;8-9H,7H2,1-6H3;7-8H,1-6H3;8H,6-7H2,1-5H3;7H,6H2,1-5H3;1H4
InChIKeyBOPKDMPNQWANTM-UHFFFAOYSA-N
MW765.39 g/mol
LogP15.93
Rot. Bonds14

About methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane

methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 157413852) has the molecular formula C48H108O5 and a molecular weight of 765.39 g/mol. Its IUPAC name is methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Namemethane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID157413852
Molecular FormulaC48H108O5
Molecular Weight765.39 g/mol
Exact Mass764.82
IUPAC Namemethane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane
SMILESC.CC(C)C(C)OC(C)(C)C.CCC(C)OC(C)(C)C.CCC(CC(C)C)OC(C)(C)C.CCC(CC)OC(C)(C)C.CCC(OC(C)(C)C)C(C)C
InChIInChI=1S/C11H24O.C10H22O.2C9H20O.C8H18O.CH4/c1-7-10(8-9(2)3)12-11(4,5)6;1-7-9(8(2)3)11-10(4,5)6;1-7(2)8(3)10-9(4,5)6;1-6-8(7-2)10-9(3,4)5;1-6-7(2)9-8(3,4)5;/h9-10H,7-8H2,1-6H3;8-9H,7H2,1-6H3;7-8H,1-6H3;8H,6-7H2,1-5H3;7H,6H2,1-5H3;1H4
InChIKeyBOPKDMPNQWANTM-UHFFFAOYSA-N
XLogP15.93
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.39
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane (CID 157413852) is methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane is C.CC(C)C(C)OC(C)(C)C.CCC(C)OC(C)(C)C.CCC(CC(C)C)OC(C)(C)C.CCC(CC)OC(C)(C)C.CCC(OC(C)(C)C)C(C)C.
What is the InChIKey of methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is BOPKDMPNQWANTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O.C10H22O.2C9H20O.C8H18O.CH4/c1-7-10(8-9(2)3)12-11(4,5)6;1-7-9(8(2)3)11-10(4,5)6;1-7(2)8(3)10-9(4,5)6;1-6-8(7-2)10-9(3,4)5;1-6-7(2)9-8(3,4)5;/h9-10H,7-8H2,1-6H3;8-9H,7H2,1-6H3;7-8H,1-6H3;8H,6-7H2,1-5H3;7H,6H2,1-5H3;1H4.
What are the key properties of methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane?
methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 765.39 g/mol, XLogP of 15.93, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane;2-methyl-3-[(2-methylpropan-2-yl)oxy]pentane;2-[(2-methylpropan-2-yl)oxy]butane;3-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 157413852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).