cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol

C12H20O2 — CID 71726213

IUPACcis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol
SMILESC=CC[C@@]1(O)CCC[C@]1(CO)CC=C
InChIInChI=1S/C12H20O2/c1-3-6-11(10-13)8-5-9-12(11,14)7-4-2/h3-4,13-14H,1-2,5-10H2/t11-,12+/m0/s1
InChIKeyAASKLTUSKIVISW-NWDGAFQWSA-N
MW196.29 g/mol
LogP2.03
Rot. Bonds5

About cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol

cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol (PubChem CID 71726213) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol
PubChem CID71726213
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namecis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol
SMILESC=CC[C@@]1(O)CCC[C@]1(CO)CC=C
InChIInChI=1S/C12H20O2/c1-3-6-11(10-13)8-5-9-12(11,14)7-4-2/h3-4,13-14H,1-2,5-10H2/t11-,12+/m0/s1
InChIKeyAASKLTUSKIVISW-NWDGAFQWSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol (CID 71726213) is cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol is C=CC[C@@]1(O)CCC[C@]1(CO)CC=C.
What is the InChIKey of cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol?
The InChIKey is AASKLTUSKIVISW-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-6-11(10-13)8-5-9-12(11,14)7-4-2/h3-4,13-14H,1-2,5-10H2/t11-,12+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol?
cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(hydroxymethyl)-1,2-bis(prop-2-enyl)cyclopentan-1-ol is sourced from PubChem (CID 71726213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).