2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate

C14H24O2 — CID 90364766

IUPAC2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCC(C)(C(=O)OC(C)(C)CC)CC1
InChIInChI=1S/C14H24O2/c1-6-13(3,4)16-12(15)14(5)9-7-11(2)8-10-14/h2,6-10H2,1,3-5H3
InChIKeyFKSPOPHPHFYMET-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds3

About 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate

2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate (PubChem CID 90364766) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate
PubChem CID90364766
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCC(C)(C(=O)OC(C)(C)CC)CC1
InChIInChI=1S/C14H24O2/c1-6-13(3,4)16-12(15)14(5)9-7-11(2)8-10-14/h2,6-10H2,1,3-5H3
InChIKeyFKSPOPHPHFYMET-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylbutan-2-yl 1-methoxy-4-methylidenecyclohexane-1-carboxylate
CID 90359350
benzyl 1-methoxy-4-methylidenecyclohexane-1-carboxylate;2-methylbutan-2-yl 1-methoxy-4-methylidenecyclohexane-1-carboxylate
CID 144689271
1-(2,2-dimethylbutoxy)-4-methylidenecyclohexane-1-carboxylic acid
CID 90359351
2-methylbutan-2-yl 5-ethenyl-2,2-dimethyl-1,3-dioxane-5-carboxylate
CID 130196281
ethyl 1-(bromomethyl)-4-methylidenecyclohexane-1-carboxylate
CID 10015501
2-methylbutan-2-yl carbonochloridate
CID 15051328
(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone
CID 126992987
ethyl 1-(2-methoxyethyl)-4-methylidenecyclohexane-1-carboxylate
CID 58230019
(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate
CID 150043485
(1-methyl-2-methylidenecyclohexyl) 2,2-dimethylbutanoate
CID 163511431
2-methylbutan-2-yl 1-methyl-4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-diene-1-carboxylate
CID 123567739
2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate
CID 174192661

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate (CID 90364766) is 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate is C=C1CCC(C)(C(=O)OC(C)(C)CC)CC1.
What is the InChIKey of 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate?
The InChIKey is FKSPOPHPHFYMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-13(3,4)16-12(15)14(5)9-7-11(2)8-10-14/h2,6-10H2,1,3-5H3.
What are the key properties of 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate?
2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 1-methyl-4-methylidenecyclohexane-1-carboxylate is sourced from PubChem (CID 90364766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).