(1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol

C10H17ClO — CID 10877911

IUPAC(1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol
SMILESC=C[C@@H](Cl)[C@H](O)C1CCCCC1
InChIInChI=1S/C10H17ClO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h2,8-10,12H,1,3-7H2/t9-,10-/m1/s1
InChIKeyYCJBPVIMJZUPEX-NXEZZACHSA-N
MW188.70 g/mol
LogP2.72
Rot. Bonds3

About (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol

(1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol (PubChem CID 10877911) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol
PubChem CID10877911
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name(1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol
SMILESC=C[C@@H](Cl)[C@H](O)C1CCCCC1
InChIInChI=1S/C10H17ClO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h2,8-10,12H,1,3-7H2/t9-,10-/m1/s1
InChIKeyYCJBPVIMJZUPEX-NXEZZACHSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.72
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 (1R,2R)-2-chloro-1-cyclohexylbut-3-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 (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol?
The IUPAC name of (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol (CID 10877911) is (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol.
What is the SMILES notation for (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol?
The canonical SMILES for (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol is C=C[C@@H](Cl)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol?
The InChIKey is YCJBPVIMJZUPEX-NXEZZACHSA-N. The full InChI is InChI=1S/C10H17ClO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h2,8-10,12H,1,3-7H2/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol?
(1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol has a molecular weight of 188.70 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol is sourced from PubChem (CID 10877911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).