(Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol

C17H26O2 — CID 10753985

IUPAC(Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol
SMILESCCCCCCC/C=C\[C@H](O)C#CC#CCCCO
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h11,14,17-19H,2-6,8,10,13,16H2,1H3/b14-11-/t17-/m0/s1
InChIKeyOZXJUTMPBYVTKB-IFCKCIONSA-N
MW262.39 g/mol
LogP3.04
Rot. Bonds9

About (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol

(Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol (PubChem CID 10753985) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol.

Molecular Properties

Compound Name(Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol
PubChem CID10753985
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol
SMILESCCCCCCC/C=C\[C@H](O)C#CC#CCCCO
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h11,14,17-19H,2-6,8,10,13,16H2,1H3/b14-11-/t17-/m0/s1
InChIKeyOZXJUTMPBYVTKB-IFCKCIONSA-N
XLogP3.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol?
The IUPAC name of (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol (CID 10753985) is (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol.
What is the SMILES notation for (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol?
The canonical SMILES for (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol is CCCCCCC/C=C\[C@H](O)C#CC#CCCCO.
What is the InChIKey of (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol?
The InChIKey is OZXJUTMPBYVTKB-IFCKCIONSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h11,14,17-19H,2-6,8,10,13,16H2,1H3/b14-11-/t17-/m0/s1.
What are the key properties of (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol?
(Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol has a molecular weight of 262.39 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol is sourced from PubChem (CID 10753985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).