17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one

C17H22O2 — CID 54043213

IUPAC17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one
SMILESCCCC(=O)CCC=CC=CC#CC#CCCCO
InChIInChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,18H,2,11-16H2,1H3
InChIKeyLNUGFLAFCOXHNN-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.03
Rot. Bonds8

About 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one

17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one (PubChem CID 54043213) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one.

Molecular Properties

Compound Name17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one
PubChem CID54043213
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one
SMILESCCCC(=O)CCC=CC=CC#CC#CCCCO
InChIInChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,18H,2,11-16H2,1H3
InChIKeyLNUGFLAFCOXHNN-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one?
The IUPAC name of 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one (CID 54043213) is 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one.
What is the SMILES notation for 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one?
The canonical SMILES for 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one is CCCC(=O)CCC=CC=CC#CC#CCCCO.
What is the InChIKey of 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one?
The InChIKey is LNUGFLAFCOXHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,18H,2,11-16H2,1H3.
What are the key properties of 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one?
17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one has a molecular weight of 258.36 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one is sourced from PubChem (CID 54043213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).