(1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol

C12H20O — CID 11542876

IUPAC(1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol
SMILESO[C@H]1CCC/C1=C\C1CCCCC1
InChIInChI=1S/C12H20O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h9-10,12-13H,1-8H2/b11-9+/t12-/m0/s1
InChIKeyKWAUFQNYFCZBJL-ZKQHCESOSA-N
MW180.29 g/mol
LogP3.04
Rot. Bonds1

About (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol

(1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol (PubChem CID 11542876) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol
PubChem CID11542876
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol
SMILESO[C@H]1CCC/C1=C\C1CCCCC1
InChIInChI=1S/C12H20O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h9-10,12-13H,1-8H2/b11-9+/t12-/m0/s1
InChIKeyKWAUFQNYFCZBJL-ZKQHCESOSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-ol
CID 166666562
[(E)-(2-cyclohexylcyclopentylidene)methyl]cyclohexane
CID 58552469
2-ethylidenecyclopentan-1-ol
CID 72740887
(2E)-2-(2-methylpropylidene)cyclopentan-1-ol
CID 14568108
(1R,2Z)-2-(2-methylpropylidene)cyclopentan-1-ol
CID 87967393
1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine
CID 145204265
cyclopropylidenemethylcyclopentane
CID 148648629
(1R,2Z)-2-octylidenecyclopentan-1-ol
CID 177383761
[2-(cyclohexylmethylidene)cyclopropyl]hydrazine
CID 150252564
2-methylidenecyclooctane-1,3-diol
CID 130147976
(1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol
CID 134964329
(2E,8E)-2,8-bis(cyclohexylmethylidene)cyclooctan-1-one
CID 6446444

Frequently Asked Questions

What is the IUPAC name of (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol?
The IUPAC name of (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol (CID 11542876) is (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol.
What is the SMILES notation for (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol?
The canonical SMILES for (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol is O[C@H]1CCC/C1=C\C1CCCCC1.
What is the InChIKey of (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol?
The InChIKey is KWAUFQNYFCZBJL-ZKQHCESOSA-N. The full InChI is InChI=1S/C12H20O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h9-10,12-13H,1-8H2/b11-9+/t12-/m0/s1.
What are the key properties of (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol?
(1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol is sourced from PubChem (CID 11542876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).