[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate

C17H20O2 — CID 167697090

IUPAC[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate
SMILESC=C(C)[C@]1(OC(=O)c2ccccc2)CC=C(C)CC1
InChIInChI=1S/C17H20O2/c1-13(2)17(11-9-14(3)10-12-17)19-16(18)15-7-5-4-6-8-15/h4-9H,1,10-12H2,2-3H3/t17-/m0/s1
InChIKeyXUXIRXSMCCOVLO-KRWDZBQOSA-N
MW256.34 g/mol
LogP4.29
Rot. Bonds3

About [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate

[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate (PubChem CID 167697090) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate.

Molecular Properties

Compound Name[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate
PubChem CID167697090
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate
SMILESC=C(C)[C@]1(OC(=O)c2ccccc2)CC=C(C)CC1
InChIInChI=1S/C17H20O2/c1-13(2)17(11-9-14(3)10-12-17)19-16(18)15-7-5-4-6-8-15/h4-9H,1,10-12H2,2-3H3/t17-/m0/s1
InChIKeyXUXIRXSMCCOVLO-KRWDZBQOSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate with MolForge

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Related Compounds

1-benzoyloxycyclopropane-1-carboxylic acid
CID 170565634
(1-methylcyclopropyl) benzoate
CID 14416714
(1-carbonochloridoylcyclopentyl) benzoate
CID 125471954
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
(1-methylcyclohex-3-en-1-yl) benzoate
CID 134859069
benzoyl benzoate;2-methylprop-2-enoic acid
CID 87155251
[(1S)-1-formyl-3,4-dimethylcyclohex-3-en-1-yl] benzoate
CID 132549778
(1,2-dimethylcyclohexyl) benzoate
CID 67593313
3-oxobut-1-en-2-yl benzoate
CID 12671077
1-(1-methylcyclopentyl)ethenyl benzoate
CID 140564913
(2,2-dibromo-1-methylcyclopropyl) benzoate
CID 134894705
(3-benzoyl-1-methylpiperidin-3-yl) benzoate;hydrochloride
CID 138399166

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate?
The IUPAC name of [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate (CID 167697090) is [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate.
What is the SMILES notation for [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate?
The canonical SMILES for [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate is C=C(C)[C@]1(OC(=O)c2ccccc2)CC=C(C)CC1.
What is the InChIKey of [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate?
The InChIKey is XUXIRXSMCCOVLO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(2)17(11-9-14(3)10-12-17)19-16(18)15-7-5-4-6-8-15/h4-9H,1,10-12H2,2-3H3/t17-/m0/s1.
What are the key properties of [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate?
[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate has a molecular weight of 256.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate is sourced from PubChem (CID 167697090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).