3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid

C12H18O2 — CID 10583976

IUPAC3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid
SMILESC=C(C)[C@H]1CC=C(CCC(=O)O)CC1
InChIInChI=1S/C12H18O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3,11H,1,4-8H2,2H3,(H,13,14)/t11-/m0/s1
InChIKeyGTLBCKNYJPQKHE-NSHDSACASA-N
MW194.27 g/mol
LogP3.15
Rot. Bonds4

About 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid

3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid (PubChem CID 10583976) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid
PubChem CID10583976
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid
SMILESC=C(C)[C@H]1CC=C(CCC(=O)O)CC1
InChIInChI=1S/C12H18O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3,11H,1,4-8H2,2H3,(H,13,14)/t11-/m0/s1
InChIKeyGTLBCKNYJPQKHE-NSHDSACASA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.15
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 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid?
The IUPAC name of 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid (CID 10583976) is 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid.
What is the SMILES notation for 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid?
The canonical SMILES for 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid is C=C(C)[C@H]1CC=C(CCC(=O)O)CC1.
What is the InChIKey of 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid?
The InChIKey is GTLBCKNYJPQKHE-NSHDSACASA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3,11H,1,4-8H2,2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid?
3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid has a molecular weight of 194.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid is sourced from PubChem (CID 10583976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).