5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol

C11H17ClO — CID 12957924

IUPAC5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol
SMILESC=C(CCCl)C(O)CC1C=CCC1
InChIInChI=1S/C11H17ClO/c1-9(6-7-12)11(13)8-10-4-2-3-5-10/h2,4,10-11,13H,1,3,5-8H2
InChIKeyARMISHSNVVJTLL-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.89
Rot. Bonds5

About 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol

5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol (PubChem CID 12957924) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol.

Molecular Properties

Compound Name5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol
PubChem CID12957924
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Name5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol
SMILESC=C(CCCl)C(O)CC1C=CCC1
InChIInChI=1S/C11H17ClO/c1-9(6-7-12)11(13)8-10-4-2-3-5-10/h2,4,10-11,13H,1,3,5-8H2
InChIKeyARMISHSNVVJTLL-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-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 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol?
The IUPAC name of 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol (CID 12957924) is 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol.
What is the SMILES notation for 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol?
The canonical SMILES for 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol is C=C(CCCl)C(O)CC1C=CCC1.
What is the InChIKey of 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol?
The InChIKey is ARMISHSNVVJTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO/c1-9(6-7-12)11(13)8-10-4-2-3-5-10/h2,4,10-11,13H,1,3,5-8H2.
What are the key properties of 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol?
5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol has a molecular weight of 200.71 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopent-2-en-1-yl-3-methylidenepentan-2-ol is sourced from PubChem (CID 12957924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).