methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate

C13H20O2 — CID 101343434

IUPACmethyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(C)C1CC=C(C)CC1
InChIInChI=1S/C13H20O2/c1-9-4-6-10(7-5-9)13(2)8-11(13)12(14)15-3/h4,10-11H,5-8H2,1-3H3
InChIKeyRIKDZEIDSKIDHI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.93
Rot. Bonds2

About methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate

methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate (PubChem CID 101343434) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate
PubChem CID101343434
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namemethyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(C)C1CC=C(C)CC1
InChIInChI=1S/C13H20O2/c1-9-4-6-10(7-5-9)13(2)8-11(13)12(14)15-3/h4,10-11H,5-8H2,1-3H3
InChIKeyRIKDZEIDSKIDHI-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2,4-trimethylcyclohex-3-ene-1-carboxylate
CID 16752843
1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone
CID 10633477
lithium;methane;4-methylcyclohex-3-ene-1-carboxylic acid;methyl 4-methylcyclohex-3-ene-1-carboxylate;hydroxide
CID 167654030
(1S,3Z,7R)-4,11,11-trimethylbicyclo[5.3.1]undec-3-en-8-one
CID 10998207
(4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol
CID 101162781
methyl 3-methylcyclopent-3-ene-1-carboxylate
CID 12732838
methyl (1R)-2,2-dimethyl-3-oxocyclopentane-1-carboxylate
CID 14805634
methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
CID 71399973
ethyl 2-[(1R,5S)-5-acetyloxy-4-methylcyclohex-3-en-1-yl]-2-methylcyclopropane-1-carboxylate
CID 167244113
ethyl 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-4H-1,2-oxazole-3-carboxylate
CID 126965212
5-hydroxy-2,6,6-trimethyl-2-(4-methylcyclohex-3-en-1-yl)pyran-3-one
CID 163045523
methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate
CID 10857326

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate (CID 101343434) is methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate is COC(=O)C1CC1(C)C1CC=C(C)CC1.
What is the InChIKey of methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate?
The InChIKey is RIKDZEIDSKIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-4-6-10(7-5-9)13(2)8-11(13)12(14)15-3/h4,10-11H,5-8H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate?
methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 101343434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).