(3Z)-hexadeca-3,15-dien-4-ol

C16H30O — CID 154698399

IUPAC(3Z)-hexadeca-3,15-dien-4-ol
SMILESC=CCCCCCCCCCC/C(O)=C/CC
InChIInChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-13-15-16(17)14-4-2/h3,14,17H,1,4-13,15H2,2H3/b16-14-
InChIKeyZWDXMVAOWAPDDP-PEZBUJJGSA-N
MW238.41 g/mol
LogP5.93
Rot. Bonds12

About (3Z)-hexadeca-3,15-dien-4-ol

(3Z)-hexadeca-3,15-dien-4-ol (PubChem CID 154698399) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (3Z)-hexadeca-3,15-dien-4-ol.

Molecular Properties

Compound Name(3Z)-hexadeca-3,15-dien-4-ol
PubChem CID154698399
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(3Z)-hexadeca-3,15-dien-4-ol
SMILESC=CCCCCCCCCCC/C(O)=C/CC
InChIInChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-13-15-16(17)14-4-2/h3,14,17H,1,4-13,15H2,2H3/b16-14-
InChIKeyZWDXMVAOWAPDDP-PEZBUJJGSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3E,21E)-tricosa-3,21-dien-4-ol
CID 174283265
(9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid
CID 131839811
tetrakis(but-1-ene);oct-1-ene
CID 158942238
octatriacont-11-en-12-ol
CID 156905019
hexatriacont-17-en-18-ol
CID 173290872
but-1-ene;hex-1-ene;bis(oct-1-ene)
CID 161126076
(2Z)-octa-2,7-dien-3-ol
CID 11116072
28-hexylpentaconta-1,28-diene
CID 90932256
dec-1-ene;dec-9-enoic acid
CID 87497067
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
octadec-17-enoic acid
CID 5312444
hept-6-enoic acid;undec-10-enoic acid
CID 87675195

Frequently Asked Questions

What is the IUPAC name of (3Z)-hexadeca-3,15-dien-4-ol?
The IUPAC name of (3Z)-hexadeca-3,15-dien-4-ol (CID 154698399) is (3Z)-hexadeca-3,15-dien-4-ol.
What is the SMILES notation for (3Z)-hexadeca-3,15-dien-4-ol?
The canonical SMILES for (3Z)-hexadeca-3,15-dien-4-ol is C=CCCCCCCCCCC/C(O)=C/CC.
What is the InChIKey of (3Z)-hexadeca-3,15-dien-4-ol?
The InChIKey is ZWDXMVAOWAPDDP-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-13-15-16(17)14-4-2/h3,14,17H,1,4-13,15H2,2H3/b16-14-.
What are the key properties of (3Z)-hexadeca-3,15-dien-4-ol?
(3Z)-hexadeca-3,15-dien-4-ol has a molecular weight of 238.41 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hexadeca-3,15-dien-4-ol is sourced from PubChem (CID 154698399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).