(7R,8S)-2-methyloctadec-2-ene-7,8-diol

C19H38O2 — CID 13420628

IUPAC(7R,8S)-2-methyloctadec-2-ene-7,8-diol
SMILESCCCCCCCCCC[C@H](O)[C@H](O)CCCC=C(C)C
InChIInChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-15-18(20)19(21)16-13-12-14-17(2)3/h14,18-21H,4-13,15-16H2,1-3H3/t18-,19+/m0/s1
InChIKeyPXUKLOFVJCMJML-RBUKOAKNSA-N
MW298.51 g/mol
LogP5.38
Rot. Bonds14

About (7R,8S)-2-methyloctadec-2-ene-7,8-diol

(7R,8S)-2-methyloctadec-2-ene-7,8-diol (PubChem CID 13420628) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is (7R,8S)-2-methyloctadec-2-ene-7,8-diol.

Molecular Properties

Compound Name(7R,8S)-2-methyloctadec-2-ene-7,8-diol
PubChem CID13420628
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name(7R,8S)-2-methyloctadec-2-ene-7,8-diol
SMILESCCCCCCCCCC[C@H](O)[C@H](O)CCCC=C(C)C
InChIInChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-15-18(20)19(21)16-13-12-14-17(2)3/h14,18-21H,4-13,15-16H2,1-3H3/t18-,19+/m0/s1
InChIKeyPXUKLOFVJCMJML-RBUKOAKNSA-N
XLogP5.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonacosane-14,15-diol
CID 91509633
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(Z)-octacos-19-ene-10,11-diol
CID 87651448
pentadecane-4,5-diol
CID 103454846
(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3R)-undecane-1,2,3-triol
CID 15641124
16-methylheptadecane-7,8-diol
CID 118508542
(5S,6S)-hexadec-1-yne-5,6-diol
CID 11196120
2,7-dimethyldec-2-ene
CID 123304905
(E)-heptadec-9-ene-6,7-diol
CID 173310595
(E,6S,7S)-nonadec-2-ene-1,6,7-triol
CID 11347574

Frequently Asked Questions

What is the IUPAC name of (7R,8S)-2-methyloctadec-2-ene-7,8-diol?
The IUPAC name of (7R,8S)-2-methyloctadec-2-ene-7,8-diol (CID 13420628) is (7R,8S)-2-methyloctadec-2-ene-7,8-diol.
What is the SMILES notation for (7R,8S)-2-methyloctadec-2-ene-7,8-diol?
The canonical SMILES for (7R,8S)-2-methyloctadec-2-ene-7,8-diol is CCCCCCCCCC[C@H](O)[C@H](O)CCCC=C(C)C.
What is the InChIKey of (7R,8S)-2-methyloctadec-2-ene-7,8-diol?
The InChIKey is PXUKLOFVJCMJML-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-15-18(20)19(21)16-13-12-14-17(2)3/h14,18-21H,4-13,15-16H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (7R,8S)-2-methyloctadec-2-ene-7,8-diol?
(7R,8S)-2-methyloctadec-2-ene-7,8-diol has a molecular weight of 298.51 g/mol, XLogP of 5.38, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-2-methyloctadec-2-ene-7,8-diol is sourced from PubChem (CID 13420628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).