pentadeca-12,14-dien-1-ol

C15H28O — CID 163204807

IUPACpentadeca-12,14-dien-1-ol
SMILESC=CC=CCCCCCCCCCCCO
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-4,16H,1,5-15H2
InChIKeyMLNCVPIWSKDDMQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.62
Rot. Bonds12

About pentadeca-12,14-dien-1-ol

pentadeca-12,14-dien-1-ol (PubChem CID 163204807) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is pentadeca-12,14-dien-1-ol.

Molecular Properties

Compound Namepentadeca-12,14-dien-1-ol
PubChem CID163204807
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Namepentadeca-12,14-dien-1-ol
SMILESC=CC=CCCCCCCCCCCCO
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-4,16H,1,5-15H2
InChIKeyMLNCVPIWSKDDMQ-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptadeca-14,16-dien-1-ol
CID 163204876
deca-7,9-dien-1-ol
CID 54432323
(14E)-heptadeca-14,16-dien-1-ol
CID 163204911
tetradeca-9,11,13-trien-1-ol
CID 71341852
hexane;(11E)-tetradeca-11,13-dien-1-ol
CID 175020662
nonadeca-10,13,16,18-tetraen-1-ol
CID 85304440
hexadec-8-ene-1,16-diol
CID 54395986
octadeca-9,17-dien-1-ol
CID 78409331
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
10-iododeca-1,3-diene
CID 168861651
dodeca-9,11-dienal
CID 543135
heptadeca-1,3,14-triene
CID 54251685

Frequently Asked Questions

What is the IUPAC name of pentadeca-12,14-dien-1-ol?
The IUPAC name of pentadeca-12,14-dien-1-ol (CID 163204807) is pentadeca-12,14-dien-1-ol.
What is the SMILES notation for pentadeca-12,14-dien-1-ol?
The canonical SMILES for pentadeca-12,14-dien-1-ol is C=CC=CCCCCCCCCCCCO.
What is the InChIKey of pentadeca-12,14-dien-1-ol?
The InChIKey is MLNCVPIWSKDDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-4,16H,1,5-15H2.
What are the key properties of pentadeca-12,14-dien-1-ol?
pentadeca-12,14-dien-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-12,14-dien-1-ol is sourced from PubChem (CID 163204807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).