(Z)-hexadec-9-en-7-yn-6-ol

C16H28O — CID 59125733

IUPAC(Z)-hexadec-9-en-7-yn-6-ol
SMILESCCCCCC/C=C\C#CC(O)CCCCC
InChIInChI=1S/C16H28O/c1-3-5-7-8-9-10-11-13-15-16(17)14-12-6-4-2/h10-11,16-17H,3-9,12,14H2,1-2H3/b11-10-
InChIKeyZQHRDDSCGLMQPM-KHPPLWFESA-N
MW236.40 g/mol
LogP4.46
Rot. Bonds9

About (Z)-hexadec-9-en-7-yn-6-ol

(Z)-hexadec-9-en-7-yn-6-ol (PubChem CID 59125733) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (Z)-hexadec-9-en-7-yn-6-ol.

Molecular Properties

Compound Name(Z)-hexadec-9-en-7-yn-6-ol
PubChem CID59125733
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(Z)-hexadec-9-en-7-yn-6-ol
SMILESCCCCCC/C=C\C#CC(O)CCCCC
InChIInChI=1S/C16H28O/c1-3-5-7-8-9-10-11-13-15-16(17)14-12-6-4-2/h10-11,16-17H,3-9,12,14H2,1-2H3/b11-10-
InChIKeyZQHRDDSCGLMQPM-KHPPLWFESA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(9E,15E)-icosa-9,15-dien-7-yn-6-ol
CID 23523148
(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
methyl 6-hydroxytetradec-2-en-4-ynoate
CID 23267308
(Z,6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 23425024
henicos-7-en-6-ol
CID 91409967
octacos-21-en-10-ol
CID 163011476
(Z)-octacos-19-ene-10,11-diol
CID 87651448
(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol
CID 87603284
hexadec-13-en-5-yn-7-ol
CID 71428203
5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid
CID 23523133

Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-9-en-7-yn-6-ol?
The IUPAC name of (Z)-hexadec-9-en-7-yn-6-ol (CID 59125733) is (Z)-hexadec-9-en-7-yn-6-ol.
What is the SMILES notation for (Z)-hexadec-9-en-7-yn-6-ol?
The canonical SMILES for (Z)-hexadec-9-en-7-yn-6-ol is CCCCCC/C=C\C#CC(O)CCCCC.
What is the InChIKey of (Z)-hexadec-9-en-7-yn-6-ol?
The InChIKey is ZQHRDDSCGLMQPM-KHPPLWFESA-N. The full InChI is InChI=1S/C16H28O/c1-3-5-7-8-9-10-11-13-15-16(17)14-12-6-4-2/h10-11,16-17H,3-9,12,14H2,1-2H3/b11-10-.
What are the key properties of (Z)-hexadec-9-en-7-yn-6-ol?
(Z)-hexadec-9-en-7-yn-6-ol has a molecular weight of 236.40 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-9-en-7-yn-6-ol is sourced from PubChem (CID 59125733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).