2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal

C79H156O25 — CID 161450353

IUPAC2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal
SMILESC=C(C)C(=O)OCCOC(CC)CC(C)OCCO.CCC(C)OC.CCC(CC(C)OCCOC)OCCC=O.CCC(CC(C)OCCOC)OCCOC.CCC(CC(C)OCCOC)OCCOc1ccccc1.CCC(CC(CC(C)OCCOC)OCCOC)OCCOCCOC
InChIInChI=1S/C19H40O7.C17H28O4.C14H26O5.C12H26O4.C12H24O4.C5H12O/c1-6-18(25-14-11-23-10-7-20-3)16-19(26-13-9-22-5)15-17(2)24-12-8-21-4;1-4-16(14-15(2)19-11-10-18-3)20-12-13-21-17-8-6-5-7-9-17;1-5-13(10-12(4)17-7-6-15)18-8-9-19-14(16)11(2)3;1-5-12(16-9-7-14-4)10-11(2)15-8-6-13-3;1-4-12(16-7-5-6-13)10-11(2)15-9-8-14-3;1-4-5(2)6-3/h17-19H,6-16H2,1-5H3;5-9,15-16H,4,10-14H2,1-3H3;12-13,15H,2,5-10H2,1,3-4H3;11-12H,5-10H2,1-4H3;6,11-12H,4-5,7-10H2,1-3H3;5H,4H2,1-3H3
InChIKeyWALHATMXEQTSBW-UHFFFAOYSA-N
MW1506.09 g/mol
LogP12.41
Rot. Bonds67

About 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal

2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal (PubChem CID 161450353) has the molecular formula C79H156O25 and a molecular weight of 1506.09 g/mol. Its IUPAC name is 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal.

Molecular Properties

Compound Name2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal
PubChem CID161450353
Molecular FormulaC79H156O25
Molecular Weight1506.09 g/mol
Exact Mass1505.09
IUPAC Name2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal
SMILESC=C(C)C(=O)OCCOC(CC)CC(C)OCCO.CCC(C)OC.CCC(CC(C)OCCOC)OCCC=O.CCC(CC(C)OCCOC)OCCOC.CCC(CC(C)OCCOC)OCCOc1ccccc1.CCC(CC(CC(C)OCCOC)OCCOC)OCCOCCOC
InChIInChI=1S/C19H40O7.C17H28O4.C14H26O5.C12H26O4.C12H24O4.C5H12O/c1-6-18(25-14-11-23-10-7-20-3)16-19(26-13-9-22-5)15-17(2)24-12-8-21-4;1-4-16(14-15(2)19-11-10-18-3)20-12-13-21-17-8-6-5-7-9-17;1-5-13(10-12(4)17-7-6-15)18-8-9-19-14(16)11(2)3;1-5-12(16-9-7-14-4)10-11(2)15-8-6-13-3;1-4-12(16-7-5-6-13)10-11(2)15-9-8-14-3;1-4-5(2)6-3/h17-19H,6-16H2,1-5H3;5-9,15-16H,4,10-14H2,1-3H3;12-13,15H,2,5-10H2,1,3-4H3;11-12H,5-10H2,1-4H3;6,11-12H,4-5,7-10H2,1-3H3;5H,4H2,1-3H3
InChIKeyWALHATMXEQTSBW-UHFFFAOYSA-N
XLogP12.41
TPSA257.43 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds67
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.09
LogP ≤ 512.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal with MolForge

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Related Compounds

2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate
CID 23599748
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 170549371
2-(2-hydroxyethoxy)-1-phenoxyethanol;2-methylprop-2-enoic acid;2-phenoxyethyl 2-methylprop-2-enoate
CID 159557307
benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 160754242
methane;4-[2-[4-(2-methoxyethoxy)-8-(2-methylpropoxy)-6-[2-(4-phenylphenoxy)ethoxy]decan-2-yl]oxyethoxy]benzoic acid
CID 160885358
2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane
CID 91062489
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
3-[4-(4-butan-2-yloxyphenyl)phenoxy]propyl 2-methylprop-2-enoate
CID 20566717
2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 138664730
2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate
CID 91261789

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal?
The IUPAC name of 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal (CID 161450353) is 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal.
What is the SMILES notation for 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal?
The canonical SMILES for 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal is C=C(C)C(=O)OCCOC(CC)CC(C)OCCO.CCC(C)OC.CCC(CC(C)OCCOC)OCCC=O.CCC(CC(C)OCCOC)OCCOC.CCC(CC(C)OCCOC)OCCOc1ccccc1.CCC(CC(CC(C)OCCOC)OCCOC)OCCOCCOC.
What is the InChIKey of 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal?
The InChIKey is WALHATMXEQTSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O7.C17H28O4.C14H26O5.C12H26O4.C12H24O4.C5H12O/c1-6-18(25-14-11-23-10-7-20-3)16-19(26-13-9-22-5)15-17(2)24-12-8-21-4;1-4-16(14-15(2)19-11-10-18-3)20-12-13-21-17-8-6-5-7-9-17;1-5-13(10-12(4)17-7-6-15)18-8-9-19-14(16)11(2)3;1-5-12(16-9-7-14-4)10-11(2)15-8-6-13-3;1-4-12(16-7-5-6-13)10-11(2)15-9-8-14-3;1-4-5(2)6-3/h17-19H,6-16H2,1-5H3;5-9,15-16H,4,10-14H2,1-3H3;12-13,15H,2,5-10H2,1,3-4H3;11-12H,5-10H2,1-4H3;6,11-12H,4-5,7-10H2,1-3H3;5H,4H2,1-3H3.
What are the key properties of 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal?
2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal has a molecular weight of 1506.09 g/mol, XLogP of 12.41, 67 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-methoxyethoxy)hexane;2,4-bis(2-methoxyethoxy)-6-[2-(2-methoxyethoxy)ethoxy]octane;2-[5-(2-hydroxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate;2-methoxybutane;2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethoxybenzene;3-[5-(2-methoxyethoxy)hexan-3-yloxy]propanal is sourced from PubChem (CID 161450353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).