hexadec-13-en-5-yn-7-ol

C16H28O — CID 71428203

IUPAChexadec-13-en-5-yn-7-ol
SMILESCCC=CCCCCCC(O)C#CCCCC
InChIInChI=1S/C16H28O/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2/h5,7,16-17H,3-4,6,8-11,13,15H2,1-2H3
InChIKeyQYSHSBOHQOMIBI-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.46
Rot. Bonds9

About hexadec-13-en-5-yn-7-ol

hexadec-13-en-5-yn-7-ol (PubChem CID 71428203) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is hexadec-13-en-5-yn-7-ol.

Molecular Properties

Compound Namehexadec-13-en-5-yn-7-ol
PubChem CID71428203
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Namehexadec-13-en-5-yn-7-ol
SMILESCCC=CCCCCCC(O)C#CCCCC
InChIInChI=1S/C16H28O/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2/h5,7,16-17H,3-4,6,8-11,13,15H2,1-2H3
InChIKeyQYSHSBOHQOMIBI-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 169488986
icosa-6,15-diyn-5-ol
CID 18710567
(Z)-non-6-ene-1,1-diol
CID 170555028
(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
(Z)-octacos-19-ene-10,11-diol
CID 87651448
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
(16R)-16-hydroxyicos-14-ynenitrile
CID 87985240
(Z)-hexadec-9-en-7-yn-6-ol
CID 59125733
(Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol
CID 170250105
(E)-undec-8-en-2-ol
CID 118316981
(9E,15E)-icosa-9,15-dien-7-yn-6-ol
CID 23523148

Frequently Asked Questions

What is the IUPAC name of hexadec-13-en-5-yn-7-ol?
The IUPAC name of hexadec-13-en-5-yn-7-ol (CID 71428203) is hexadec-13-en-5-yn-7-ol.
What is the SMILES notation for hexadec-13-en-5-yn-7-ol?
The canonical SMILES for hexadec-13-en-5-yn-7-ol is CCC=CCCCCCC(O)C#CCCCC.
What is the InChIKey of hexadec-13-en-5-yn-7-ol?
The InChIKey is QYSHSBOHQOMIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2/h5,7,16-17H,3-4,6,8-11,13,15H2,1-2H3.
What are the key properties of hexadec-13-en-5-yn-7-ol?
hexadec-13-en-5-yn-7-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 hexadec-13-en-5-yn-7-ol is sourced from PubChem (CID 71428203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).