16-methylheptadecane-7,8-diol

C18H38O2 — CID 118508542

IUPAC16-methylheptadecane-7,8-diol
SMILESCCCCCCC(O)C(O)CCCCCCCC(C)C
InChIInChI=1S/C18H38O2/c1-4-5-6-11-14-17(19)18(20)15-12-9-7-8-10-13-16(2)3/h16-20H,4-15H2,1-3H3
InChIKeyPCRIDVYHCVMDIU-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.07
Rot. Bonds14

About 16-methylheptadecane-7,8-diol

16-methylheptadecane-7,8-diol (PubChem CID 118508542) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 16-methylheptadecane-7,8-diol.

Molecular Properties

Compound Name16-methylheptadecane-7,8-diol
PubChem CID118508542
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name16-methylheptadecane-7,8-diol
SMILESCCCCCCC(O)C(O)CCCCCCCC(C)C
InChIInChI=1S/C18H38O2/c1-4-5-6-11-14-17(19)18(20)15-12-9-7-8-10-13-16(2)3/h16-20H,4-15H2,1-3H3
InChIKeyPCRIDVYHCVMDIU-UHFFFAOYSA-N
XLogP5.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
pentadecane-4,5-diol
CID 103454846
hydroxylamine;2-methylnonadecane
CID 87902402
alumane;2-methyldecane
CID 174844655
2-methylnonane;heptahydrofluoride
CID 160801749
methane;2-methylicosane
CID 157337652
2-methyltricosane;hydrate
CID 172783998

Frequently Asked Questions

What is the IUPAC name of 16-methylheptadecane-7,8-diol?
The IUPAC name of 16-methylheptadecane-7,8-diol (CID 118508542) is 16-methylheptadecane-7,8-diol.
What is the SMILES notation for 16-methylheptadecane-7,8-diol?
The canonical SMILES for 16-methylheptadecane-7,8-diol is CCCCCCC(O)C(O)CCCCCCCC(C)C.
What is the InChIKey of 16-methylheptadecane-7,8-diol?
The InChIKey is PCRIDVYHCVMDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-4-5-6-11-14-17(19)18(20)15-12-9-7-8-10-13-16(2)3/h16-20H,4-15H2,1-3H3.
What are the key properties of 16-methylheptadecane-7,8-diol?
16-methylheptadecane-7,8-diol has a molecular weight of 286.50 g/mol, XLogP of 5.07, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methylheptadecane-7,8-diol is sourced from PubChem (CID 118508542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).