(Z,2S)-2-chloronon-6-en-1-ol

C9H17ClO — CID 135054050

IUPAC(Z,2S)-2-chloronon-6-en-1-ol
SMILESCC/C=C\CCC[C@H](Cl)CO
InChIInChI=1S/C9H17ClO/c1-2-3-4-5-6-7-9(10)8-11/h3-4,9,11H,2,5-8H2,1H3/b4-3-/t9-/m0/s1
InChIKeyCIZAWVADWGEEAZ-TYRPZCRBSA-N
MW176.69 g/mol
LogP2.72
Rot. Bonds6

About (Z,2S)-2-chloronon-6-en-1-ol

(Z,2S)-2-chloronon-6-en-1-ol (PubChem CID 135054050) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is (Z,2S)-2-chloronon-6-en-1-ol.

Molecular Properties

Compound Name(Z,2S)-2-chloronon-6-en-1-ol
PubChem CID135054050
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name(Z,2S)-2-chloronon-6-en-1-ol
SMILESCC/C=C\CCC[C@H](Cl)CO
InChIInChI=1S/C9H17ClO/c1-2-3-4-5-6-7-9(10)8-11/h3-4,9,11H,2,5-8H2,1H3/b4-3-/t9-/m0/s1
InChIKeyCIZAWVADWGEEAZ-TYRPZCRBSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,2S)-2-chloronon-6-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-chloronon-6-en-1-ol?
The IUPAC name of (Z,2S)-2-chloronon-6-en-1-ol (CID 135054050) is (Z,2S)-2-chloronon-6-en-1-ol.
What is the SMILES notation for (Z,2S)-2-chloronon-6-en-1-ol?
The canonical SMILES for (Z,2S)-2-chloronon-6-en-1-ol is CC/C=C\CCC[C@H](Cl)CO.
What is the InChIKey of (Z,2S)-2-chloronon-6-en-1-ol?
The InChIKey is CIZAWVADWGEEAZ-TYRPZCRBSA-N. The full InChI is InChI=1S/C9H17ClO/c1-2-3-4-5-6-7-9(10)8-11/h3-4,9,11H,2,5-8H2,1H3/b4-3-/t9-/m0/s1.
What are the key properties of (Z,2S)-2-chloronon-6-en-1-ol?
(Z,2S)-2-chloronon-6-en-1-ol has a molecular weight of 176.69 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-chloronon-6-en-1-ol is sourced from PubChem (CID 135054050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).