1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone

C13H20O — CID 118389211

IUPAC1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone
SMILESC=CC[C@]1(C(C)=O)CCC(C)=C(C)C1
InChIInChI=1S/C13H20O/c1-5-7-13(12(4)14)8-6-10(2)11(3)9-13/h5H,1,6-9H2,2-4H3/t13-/m0/s1
InChIKeyVLLUDCUMYCVOSR-ZDUSSCGKSA-N
MW192.30 g/mol
LogP3.66
Rot. Bonds3

About 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone

1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone (PubChem CID 118389211) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone
PubChem CID118389211
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone
SMILESC=CC[C@]1(C(C)=O)CCC(C)=C(C)C1
InChIInChI=1S/C13H20O/c1-5-7-13(12(4)14)8-6-10(2)11(3)9-13/h5H,1,6-9H2,2-4H3/t13-/m0/s1
InChIKeyVLLUDCUMYCVOSR-ZDUSSCGKSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
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 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone (CID 118389211) is 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone is C=CC[C@]1(C(C)=O)CCC(C)=C(C)C1.
What is the InChIKey of 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone?
The InChIKey is VLLUDCUMYCVOSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20O/c1-5-7-13(12(4)14)8-6-10(2)11(3)9-13/h5H,1,6-9H2,2-4H3/t13-/m0/s1.
What are the key properties of 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone?
1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone has a molecular weight of 192.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 118389211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).