cis-(1S,2R)-2-ethenylcyclopentan-1-ol

C7H12O — CID 10240787

IUPACcis-(1S,2R)-2-ethenylcyclopentan-1-ol
SMILESC=C[C@H]1CCC[C@@H]1O
InChIInChI=1S/C7H12O/c1-2-6-4-3-5-7(6)8/h2,6-8H,1,3-5H2/t6-,7-/m0/s1
InChIKeyVROPFTPHFBHMLL-BQBZGAKWSA-N
MW112.17 g/mol
LogP1.33
Rot. Bonds1

About cis-(1S,2R)-2-ethenylcyclopentan-1-ol

cis-(1S,2R)-2-ethenylcyclopentan-1-ol (PubChem CID 10240787) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is cis-(1S,2R)-2-ethenylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-ethenylcyclopentan-1-ol
PubChem CID10240787
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namecis-(1S,2R)-2-ethenylcyclopentan-1-ol
SMILESC=C[C@H]1CCC[C@@H]1O
InChIInChI=1S/C7H12O/c1-2-6-4-3-5-7(6)8/h2,6-8H,1,3-5H2/t6-,7-/m0/s1
InChIKeyVROPFTPHFBHMLL-BQBZGAKWSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.33
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

Bicyclo(2.2.1)hept-5-en-2-ol
CID 96066
Bicyclo(2.2.1)hept-2-en-7-ol
CID 40898
1-Cyclopentyl-2-propen-1-ol
CID 145133
(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 10986175
2-Ethenylcyclopentan-1-ol
CID 12910249
rac-(1R,2S)-2-(prop-1-en-1-yl)cyclopentan-1-ol
CID 131239902
(1S,2R,3R,4S)-3-deuteriobicyclo[2.2.1]hept-5-en-2-ol
CID 25241147
2-Allylcyclopentanol
CID 12476296
rac-(1R,2S)-2-ethenylcyclopentan-1-ol
CID 12910248
(4E)-4-(fluoromethylidene)-2-(hydroxymethyl)cyclopentan-1-ol
CID 21831868
(4Z)-4-(fluoromethylidene)-2-(hydroxymethyl)cyclopentan-1-ol
CID 69940718
4-(Fluoromethylidene)-2-(hydroxymethyl)cyclopentan-1-ol
CID 69940720

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-ethenylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-ethenylcyclopentan-1-ol (CID 10240787) is cis-(1S,2R)-2-ethenylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-ethenylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-ethenylcyclopentan-1-ol is C=C[C@H]1CCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-ethenylcyclopentan-1-ol?
The InChIKey is VROPFTPHFBHMLL-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O/c1-2-6-4-3-5-7(6)8/h2,6-8H,1,3-5H2/t6-,7-/m0/s1.
What are the key properties of cis-(1S,2R)-2-ethenylcyclopentan-1-ol?
cis-(1S,2R)-2-ethenylcyclopentan-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-ethenylcyclopentan-1-ol is sourced from PubChem (CID 10240787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).