(9E,15E)-icosa-9,15-dien-7-yn-6-ol

C20H34O — CID 23523148

IUPAC(9E,15E)-icosa-9,15-dien-7-yn-6-ol
SMILESCCCC/C=C/CCCC/C=C/C#CC(O)CCCCC
InChIInChI=1S/C20H34O/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-20(21)18-16-6-4-2/h8-9,14-15,20-21H,3-7,10-13,16,18H2,1-2H3/b9-8+,15-14+
InChIKeyLEKHNZRKZIMOJP-IDRAWEHWSA-N
MW290.49 g/mol
LogP5.79
Rot. Bonds12

About (9E,15E)-icosa-9,15-dien-7-yn-6-ol

(9E,15E)-icosa-9,15-dien-7-yn-6-ol (PubChem CID 23523148) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (9E,15E)-icosa-9,15-dien-7-yn-6-ol.

Molecular Properties

Compound Name(9E,15E)-icosa-9,15-dien-7-yn-6-ol
PubChem CID23523148
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(9E,15E)-icosa-9,15-dien-7-yn-6-ol
SMILESCCCC/C=C/CCCC/C=C/C#CC(O)CCCCC
InChIInChI=1S/C20H34O/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-20(21)18-16-6-4-2/h8-9,14-15,20-21H,3-7,10-13,16,18H2,1-2H3/b9-8+,15-14+
InChIKeyLEKHNZRKZIMOJP-IDRAWEHWSA-N
XLogP5.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.79
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-hexadec-9-en-7-yn-6-ol
CID 59125733
(E,12R)-12-hydroxyheptadec-8-en-10-ynoic acid
CID 125496148
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
(6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 162886871
(Z,6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 23425024
octacos-21-en-10-ol
CID 163011476
(Z)-tridec-7-en-2-ol
CID 89138962
(Z)-octacos-19-ene-10,11-diol
CID 87651448
icosa-7,15-diene-6,9-diol
CID 57175111
hexadec-13-en-5-yn-7-ol
CID 71428203
5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid
CID 23523133
heptadec-9-en-2-ol
CID 54154410

Frequently Asked Questions

What is the IUPAC name of (9E,15E)-icosa-9,15-dien-7-yn-6-ol?
The IUPAC name of (9E,15E)-icosa-9,15-dien-7-yn-6-ol (CID 23523148) is (9E,15E)-icosa-9,15-dien-7-yn-6-ol.
What is the SMILES notation for (9E,15E)-icosa-9,15-dien-7-yn-6-ol?
The canonical SMILES for (9E,15E)-icosa-9,15-dien-7-yn-6-ol is CCCC/C=C/CCCC/C=C/C#CC(O)CCCCC.
What is the InChIKey of (9E,15E)-icosa-9,15-dien-7-yn-6-ol?
The InChIKey is LEKHNZRKZIMOJP-IDRAWEHWSA-N. The full InChI is InChI=1S/C20H34O/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-20(21)18-16-6-4-2/h8-9,14-15,20-21H,3-7,10-13,16,18H2,1-2H3/b9-8+,15-14+.
What are the key properties of (9E,15E)-icosa-9,15-dien-7-yn-6-ol?
(9E,15E)-icosa-9,15-dien-7-yn-6-ol has a molecular weight of 290.49 g/mol, XLogP of 5.79, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,15E)-icosa-9,15-dien-7-yn-6-ol is sourced from PubChem (CID 23523148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).