(1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol

C13H23ClO — CID 134895836

IUPAC(1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol
SMILESC=C[C@H](CCCCl)[C@H](O)C1CCCCC1
InChIInChI=1S/C13H23ClO/c1-2-11(9-6-10-14)13(15)12-7-4-3-5-8-12/h2,11-13,15H,1,3-10H2/t11-,13+/m1/s1
InChIKeySLOUEAJPUYWVNA-YPMHNXCESA-N
MW230.78 g/mol
LogP3.75
Rot. Bonds6

About (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol

(1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol (PubChem CID 134895836) has the molecular formula C13H23ClO and a molecular weight of 230.78 g/mol. Its IUPAC name is (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol.

Molecular Properties

Compound Name(1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol
PubChem CID134895836
Molecular FormulaC13H23ClO
Molecular Weight230.78 g/mol
Exact Mass230.14
IUPAC Name(1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol
SMILESC=C[C@H](CCCCl)[C@H](O)C1CCCCC1
InChIInChI=1S/C13H23ClO/c1-2-11(9-6-10-14)13(15)12-7-4-3-5-8-12/h2,11-13,15H,1,3-10H2/t11-,13+/m1/s1
InChIKeySLOUEAJPUYWVNA-YPMHNXCESA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 53.75
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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol?
The IUPAC name of (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol (CID 134895836) is (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol.
What is the SMILES notation for (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol?
The canonical SMILES for (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol is C=C[C@H](CCCCl)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol?
The InChIKey is SLOUEAJPUYWVNA-YPMHNXCESA-N. The full InChI is InChI=1S/C13H23ClO/c1-2-11(9-6-10-14)13(15)12-7-4-3-5-8-12/h2,11-13,15H,1,3-10H2/t11-,13+/m1/s1.
What are the key properties of (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol?
(1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol has a molecular weight of 230.78 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol is sourced from PubChem (CID 134895836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).