cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid

C8H12O2 — CID 11240528

IUPACcis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid
SMILESC=C[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C8H12O2/c1-2-6-3-4-7(5-6)8(9)10/h2,6-7H,1,3-5H2,(H,9,10)/t6-,7+/m0/s1
InChIKeyREVCZUOBRXDCIX-NKWVEPMBSA-N
MW140.18 g/mol
LogP1.67
Rot. Bonds2

About cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid

cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid (PubChem CID 11240528) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid
PubChem CID11240528
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namecis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid
SMILESC=C[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C8H12O2/c1-2-6-3-4-7(5-6)8(9)10/h2,6-7H,1,3-5H2,(H,9,10)/t6-,7+/m0/s1
InChIKeyREVCZUOBRXDCIX-NKWVEPMBSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.67
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 cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid (CID 11240528) is cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid is C=C[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid?
The InChIKey is REVCZUOBRXDCIX-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-6-3-4-7(5-6)8(9)10/h2,6-7H,1,3-5H2,(H,9,10)/t6-,7+/m0/s1.
What are the key properties of cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-ethenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 11240528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).