7-methyloctadecane-1,3,4-triol

C19H40O3 — CID 154366678

IUPAC7-methyloctadecane-1,3,4-triol
SMILESCCCCCCCCCCCC(C)CCC(O)C(O)CCO
InChIInChI=1S/C19H40O3/c1-3-4-5-6-7-8-9-10-11-12-17(2)13-14-18(21)19(22)15-16-20/h17-22H,3-16H2,1-2H3
InChIKeyFHDHPKZIHSRQOX-UHFFFAOYSA-N
MW316.53 g/mol
LogP4.43
Rot. Bonds16

About 7-methyloctadecane-1,3,4-triol

7-methyloctadecane-1,3,4-triol (PubChem CID 154366678) has the molecular formula C19H40O3 and a molecular weight of 316.53 g/mol. Its IUPAC name is 7-methyloctadecane-1,3,4-triol.

Molecular Properties

Compound Name7-methyloctadecane-1,3,4-triol
PubChem CID154366678
Molecular FormulaC19H40O3
Molecular Weight316.53 g/mol
Exact Mass316.30
IUPAC Name7-methyloctadecane-1,3,4-triol
SMILESCCCCCCCCCCCC(C)CCC(O)C(O)CCO
InChIInChI=1S/C19H40O3/c1-3-4-5-6-7-8-9-10-11-12-17(2)13-14-18(21)19(22)15-16-20/h17-22H,3-16H2,1-2H3
InChIKeyFHDHPKZIHSRQOX-UHFFFAOYSA-N
XLogP4.43
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methylnonacosan-1-ol
CID 10836783
(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol
CID 71733863
6-methylhexadecan-1-ol
CID 22027437
10-methylhexadecan-1-ol
CID 10244159
7-methylpentadecan-1-ol
CID 18427312
9-methylhexadecan-1-ol
CID 22027455
(6S)-6-methyloctadecan-1-ol
CID 162994676
11,14-dimethylhexacosane
CID 86148083
5,8,18,24-tetramethylhentriacontane
CID 6430103
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202

Frequently Asked Questions

What is the IUPAC name of 7-methyloctadecane-1,3,4-triol?
The IUPAC name of 7-methyloctadecane-1,3,4-triol (CID 154366678) is 7-methyloctadecane-1,3,4-triol.
What is the SMILES notation for 7-methyloctadecane-1,3,4-triol?
The canonical SMILES for 7-methyloctadecane-1,3,4-triol is CCCCCCCCCCCC(C)CCC(O)C(O)CCO.
What is the InChIKey of 7-methyloctadecane-1,3,4-triol?
The InChIKey is FHDHPKZIHSRQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3/c1-3-4-5-6-7-8-9-10-11-12-17(2)13-14-18(21)19(22)15-16-20/h17-22H,3-16H2,1-2H3.
What are the key properties of 7-methyloctadecane-1,3,4-triol?
7-methyloctadecane-1,3,4-triol has a molecular weight of 316.53 g/mol, XLogP of 4.43, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloctadecane-1,3,4-triol is sourced from PubChem (CID 154366678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).