1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone

C14H22O — CID 102030832

IUPAC1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=C(C)CC(C)(C)[C@H]1C=C(C)C
InChIInChI=1S/C14H22O/c1-9(2)7-12-13(11(4)15)10(3)8-14(12,5)6/h7,12H,8H2,1-6H3/t12-/m0/s1
InChIKeyIVMCBJFSVFVXDI-LBPRGKRZSA-N
MW206.33 g/mol
LogP3.90
Rot. Bonds2

About 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone

1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone (PubChem CID 102030832) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone.

Molecular Properties

Compound Name1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone
PubChem CID102030832
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=C(C)CC(C)(C)[C@H]1C=C(C)C
InChIInChI=1S/C14H22O/c1-9(2)7-12-13(11(4)15)10(3)8-14(12,5)6/h7,12H,8H2,1-6H3/t12-/m0/s1
InChIKeyIVMCBJFSVFVXDI-LBPRGKRZSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,3-trimethyl-4-(2-methylprop-1-enyl)cyclobutene
CID 121218572
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane
CID 520632
1-[3,3,5-trimethyl-2-(2-methylprop-1-enyl)-2H-furan-4-yl]ethanone
CID 14912356
1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone
CID 174181144
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride
CID 159817831
cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone
CID 135067667
1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone
CID 131007708
1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-3-enyl)ethanone
CID 536539
3-methyl-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
CID 57323826
3-methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)penta-2,4-dienoic acid
CID 75579748
3-methyl-2-oxo-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal
CID 141222182
[(E,2R)-4-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]but-3-en-2-yl] acetate
CID 93483123

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone?
The IUPAC name of 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone (CID 102030832) is 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone.
What is the SMILES notation for 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone?
The canonical SMILES for 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone is CC(=O)C1=C(C)CC(C)(C)[C@H]1C=C(C)C.
What is the InChIKey of 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone?
The InChIKey is IVMCBJFSVFVXDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22O/c1-9(2)7-12-13(11(4)15)10(3)8-14(12,5)6/h7,12H,8H2,1-6H3/t12-/m0/s1.
What are the key properties of 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone?
1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone has a molecular weight of 206.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone is sourced from PubChem (CID 102030832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).