methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate

C11H18O2 — CID 11095260

IUPACmethyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCCC(C)(C)C1C(=O)OC
InChIInChI=1S/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h9H,1,5-7H2,2-4H3
InChIKeySMJXJPQSPQXVMU-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds1

About methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate

methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate (PubChem CID 11095260) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate
PubChem CID11095260
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCCC(C)(C)C1C(=O)OC
InChIInChI=1S/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h9H,1,5-7H2,2-4H3
InChIKeySMJXJPQSPQXVMU-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
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

Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 166500
2-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 20236378
3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, methyl ester
CID 89480
Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester
CID 175610
Methyl 1-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylate
CID 103426
Methyl 3-methylidenecyclohexane-1-carboxylate
CID 85855833
methyl (1S,4aR,5S,8aR)-5-(2-methoxy-2-oxo-ethyl)-1,4a-dimethyl-6-methylene-decalin-1-carboxylate
CID 500883
methyl 5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
CID 166633718
Phellinulin M
CID 146684164
methyl (3R)-5-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpentanoate
CID 162932252
(4aR,8S,8aR)-4,8-dimethyl-4a,5,6,7,8,8a-hexahydroisochromen-1-one
CID 163029229
Methyl 1-allylcyclohexanecarboxylate
CID 10932067

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate (CID 11095260) is methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate is C=C1CCCC(C)(C)C1C(=O)OC.
What is the InChIKey of methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate?
The InChIKey is SMJXJPQSPQXVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h9H,1,5-7H2,2-4H3.
What are the key properties of methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate?
methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate is sourced from PubChem (CID 11095260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).