9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol

C108H230O7 — CID 173373134

IUPAC9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol
SMILESCCCCCCCC(C)(O)CCC.CCCCCCCCC(C)(O)CC.CCCCCCCCC(CCCCCC)CC(O)CCCCCC.CCCCCCCCCC(C)(C)O.CCCCCCCCCCC(CCO)CCCCCC.CCCCCCCCCCC(CCO)CCCCCCCC.CCCCCCCCCO
InChIInChI=1S/C23H48O.C21H44O.C19H40O.3C12H26O.C9H20O/c1-4-7-10-13-14-16-19-22(18-15-11-8-5-2)21-23(24)20-17-12-9-6-3;1-3-5-7-9-11-12-14-16-18-21(19-20-22)17-15-13-10-8-6-4-2;1-3-5-7-9-10-11-12-14-16-19(17-18-20)15-13-8-6-4-2;1-4-5-6-7-8-9-10-11-12(2,3)13;1-4-6-7-8-9-10-11-12(3,13)5-2;1-4-6-7-8-9-11-12(3,13)10-5-2;1-2-3-4-5-6-7-8-9-10/h22-24H,4-21H2,1-3H3;21-22H,3-20H2,1-2H3;19-20H,3-18H2,1-2H3;3*13H,4-11H2,1-3H3;10H,2-9H2,1H3
InChIKeyNSJXWKPRBXCMEA-UHFFFAOYSA-N
MW1641.02 g/mol
LogP36.22
Rot. Bonds84

About 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol

9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol (PubChem CID 173373134) has the molecular formula C108H230O7 and a molecular weight of 1641.02 g/mol. Its IUPAC name is 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol.

Molecular Properties

Compound Name9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol
PubChem CID173373134
Molecular FormulaC108H230O7
Molecular Weight1641.02 g/mol
Exact Mass1639.76
IUPAC Name9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol
SMILESCCCCCCCC(C)(O)CCC.CCCCCCCCC(C)(O)CC.CCCCCCCCC(CCCCCC)CC(O)CCCCCC.CCCCCCCCCC(C)(C)O.CCCCCCCCCCC(CCO)CCCCCC.CCCCCCCCCCC(CCO)CCCCCCCC.CCCCCCCCCO
InChIInChI=1S/C23H48O.C21H44O.C19H40O.3C12H26O.C9H20O/c1-4-7-10-13-14-16-19-22(18-15-11-8-5-2)21-23(24)20-17-12-9-6-3;1-3-5-7-9-11-12-14-16-18-21(19-20-22)17-15-13-10-8-6-4-2;1-3-5-7-9-10-11-12-14-16-19(17-18-20)15-13-8-6-4-2;1-4-5-6-7-8-9-10-11-12(2,3)13;1-4-6-7-8-9-10-11-12(3,13)5-2;1-4-6-7-8-9-11-12(3,13)10-5-2;1-2-3-4-5-6-7-8-9-10/h22-24H,4-21H2,1-3H3;21-22H,3-20H2,1-2H3;19-20H,3-18H2,1-2H3;3*13H,4-11H2,1-3H3;10H,2-9H2,1H3
InChIKeyNSJXWKPRBXCMEA-UHFFFAOYSA-N
XLogP36.22
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds84
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.02
LogP ≤ 536.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-octyldodecane-1,12-diol
CID 141481121
9-hexylheptadecan-7-ol
CID 19871685
10,13-dimethyltetradecane-1,3,10,13-tetrol
CID 88708863
3-pentylundecan-1-ol
CID 118576679
3-octyltridecan-1-ol
CID 13109029
5-decylheptadecan-1-ol
CID 171774120
11-octylicosan-1-ol
CID 162349984
15-methylhexadecane-1,12,15-triol
CID 90439897
2-hexyldecane-1,4-diol
CID 54102250
icosane-1,11-diol
CID 56976881
4,7-dimethylpentadecane-4,7-diol
CID 89335583
tetracosane-1,19-diol
CID 175364022

Frequently Asked Questions

What is the IUPAC name of 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol?
The IUPAC name of 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol (CID 173373134) is 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol.
What is the SMILES notation for 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol?
The canonical SMILES for 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol is CCCCCCCC(C)(O)CCC.CCCCCCCCC(C)(O)CC.CCCCCCCCC(CCCCCC)CC(O)CCCCCC.CCCCCCCCCC(C)(C)O.CCCCCCCCCCC(CCO)CCCCCC.CCCCCCCCCCC(CCO)CCCCCCCC.CCCCCCCCCO.
What is the InChIKey of 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol?
The InChIKey is NSJXWKPRBXCMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O.C21H44O.C19H40O.3C12H26O.C9H20O/c1-4-7-10-13-14-16-19-22(18-15-11-8-5-2)21-23(24)20-17-12-9-6-3;1-3-5-7-9-11-12-14-16-18-21(19-20-22)17-15-13-10-8-6-4-2;1-3-5-7-9-10-11-12-14-16-19(17-18-20)15-13-8-6-4-2;1-4-5-6-7-8-9-10-11-12(2,3)13;1-4-6-7-8-9-10-11-12(3,13)5-2;1-4-6-7-8-9-11-12(3,13)10-5-2;1-2-3-4-5-6-7-8-9-10/h22-24H,4-21H2,1-3H3;21-22H,3-20H2,1-2H3;19-20H,3-18H2,1-2H3;3*13H,4-11H2,1-3H3;10H,2-9H2,1H3.
What are the key properties of 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol?
9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol has a molecular weight of 1641.02 g/mol, XLogP of 36.22, 84 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexylheptadecan-7-ol;3-hexyltridecan-1-ol;2-methylundecan-2-ol;3-methylundecan-3-ol;4-methylundecan-4-ol;nonan-1-ol;3-octyltridecan-1-ol is sourced from PubChem (CID 173373134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).