trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol

C13H22O — CID 178185706

IUPACtrans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@@]1(O)CCC[C@@H]1C1CCCC1
InChIInChI=1S/C13H22O/c1-2-9-13(14)10-5-8-12(13)11-6-3-4-7-11/h2,11-12,14H,1,3-10H2/t12-,13-/m1/s1
InChIKeyWUBVVLMHPYOOJV-CHWSQXEVSA-N
MW194.32 g/mol
LogP3.28
Rot. Bonds3

About trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol

trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol (PubChem CID 178185706) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol
PubChem CID178185706
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Nametrans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@@]1(O)CCC[C@@H]1C1CCCC1
InChIInChI=1S/C13H22O/c1-2-9-13(14)10-5-8-12(13)11-6-3-4-7-11/h2,11-12,14H,1,3-10H2/t12-,13-/m1/s1
InChIKeyWUBVVLMHPYOOJV-CHWSQXEVSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol (CID 178185706) is trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol is C=CC[C@@]1(O)CCC[C@@H]1C1CCCC1.
What is the InChIKey of trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol?
The InChIKey is WUBVVLMHPYOOJV-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H22O/c1-2-9-13(14)10-5-8-12(13)11-6-3-4-7-11/h2,11-12,14H,1,3-10H2/t12-,13-/m1/s1.
What are the key properties of trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol?
trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 178185706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).