nonadeca-7,10,13-trien-2-ol

C19H34O — CID 54048695

IUPACnonadeca-7,10,13-trien-2-ol
SMILESCCCCCC=CCC=CCC=CCCCCC(C)O
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h7-8,10-11,13-14,19-20H,3-6,9,12,15-18H2,1-2H3
InChIKeyLRIWHKLFXNTYRM-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.96
Rot. Bonds13

About nonadeca-7,10,13-trien-2-ol

nonadeca-7,10,13-trien-2-ol (PubChem CID 54048695) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is nonadeca-7,10,13-trien-2-ol.

Molecular Properties

Compound Namenonadeca-7,10,13-trien-2-ol
PubChem CID54048695
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Namenonadeca-7,10,13-trien-2-ol
SMILESCCCCCC=CCC=CCC=CCCCCC(C)O
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h7-8,10-11,13-14,19-20H,3-6,9,12,15-18H2,1-2H3
InChIKeyLRIWHKLFXNTYRM-UHFFFAOYSA-N
XLogP5.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(Z)-tridec-7-en-2-ol
CID 89138962
(Z)-henicos-12-en-2-ol
CID 141141779
heptadec-9-en-2-ol
CID 54154410
icos-9-en-2-ol
CID 91416664
(E)-tridec-8-en-2-ol
CID 173250287
(E)-dodec-5-en-2-ol
CID 10511710
tetracos-5-en-2-ol
CID 173208999
(E,2R)-dec-7-en-2-ol
CID 89151124
(2R)-heptan-2-ol
CID 6992611
(E)-undec-8-en-2-ol
CID 118316981
2-methyldocosa-7,10,13,16-tetraenoic acid
CID 173392719
(11Z,14Z)-icosa-1,11,14-trien-3-ol
CID 176937263

Frequently Asked Questions

What is the IUPAC name of nonadeca-7,10,13-trien-2-ol?
The IUPAC name of nonadeca-7,10,13-trien-2-ol (CID 54048695) is nonadeca-7,10,13-trien-2-ol.
What is the SMILES notation for nonadeca-7,10,13-trien-2-ol?
The canonical SMILES for nonadeca-7,10,13-trien-2-ol is CCCCCC=CCC=CCC=CCCCCC(C)O.
What is the InChIKey of nonadeca-7,10,13-trien-2-ol?
The InChIKey is LRIWHKLFXNTYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h7-8,10-11,13-14,19-20H,3-6,9,12,15-18H2,1-2H3.
What are the key properties of nonadeca-7,10,13-trien-2-ol?
nonadeca-7,10,13-trien-2-ol has a molecular weight of 278.48 g/mol, XLogP of 5.96, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-7,10,13-trien-2-ol is sourced from PubChem (CID 54048695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).