heptadeca-14,16-dien-1-ol

C17H32O — CID 163204876

IUPACheptadeca-14,16-dien-1-ol
SMILESC=CC=CCCCCCCCCCCCCCO
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-4,18H,1,5-17H2
InChIKeyQKQUKAYZLUNLQY-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.40
Rot. Bonds14

About heptadeca-14,16-dien-1-ol

heptadeca-14,16-dien-1-ol (PubChem CID 163204876) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is heptadeca-14,16-dien-1-ol.

Molecular Properties

Compound Nameheptadeca-14,16-dien-1-ol
PubChem CID163204876
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Nameheptadeca-14,16-dien-1-ol
SMILESC=CC=CCCCCCCCCCCCCCO
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-4,18H,1,5-17H2
InChIKeyQKQUKAYZLUNLQY-UHFFFAOYSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.40
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'}

Analyze heptadeca-14,16-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

deca-7,9-dien-1-ol
CID 54432323
pentadeca-12,14-dien-1-ol
CID 163204807
(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 heptadeca-14,16-dien-1-ol?
The IUPAC name of heptadeca-14,16-dien-1-ol (CID 163204876) is heptadeca-14,16-dien-1-ol.
What is the SMILES notation for heptadeca-14,16-dien-1-ol?
The canonical SMILES for heptadeca-14,16-dien-1-ol is C=CC=CCCCCCCCCCCCCCO.
What is the InChIKey of heptadeca-14,16-dien-1-ol?
The InChIKey is QKQUKAYZLUNLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-4,18H,1,5-17H2.
What are the key properties of heptadeca-14,16-dien-1-ol?
heptadeca-14,16-dien-1-ol has a molecular weight of 252.44 g/mol, XLogP of 5.40, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-14,16-dien-1-ol is sourced from PubChem (CID 163204876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).