2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate

C12H20O2 — CID 164948323

IUPAC2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OCC(C)C)C1(C)C
InChIInChI=1S/C12H20O2/c1-8(2)7-14-11(13)10-6-9(3)12(10,4)5/h8,10H,3,6-7H2,1-2,4-5H3
InChIKeyVNUMWPPUMIGWIG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.79
Rot. Bonds3

About 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate

2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate (PubChem CID 164948323) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate
PubChem CID164948323
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OCC(C)C)C1(C)C
InChIInChI=1S/C12H20O2/c1-8(2)7-14-11(13)10-6-9(3)12(10,4)5/h8,10H,3,6-7H2,1-2,4-5H3
InChIKeyVNUMWPPUMIGWIG-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.79
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

[2,2-Dimethyl-3-(prop-1-en-2-yl)cyclobutyl]methyl acetate
CID 10856407
3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, ethyl ester
CID 21156141
[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate
CID 92468454
4-[(1R,2R)-3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enyl acetate
CID 14682851
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate
CID 162982040
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate
CID 163034239
3-Isopropenyl-2,2-dimethylcyclobutylmethyl 3-methyl-3-butenoate
CID 58602016
(+)-(1r)-cis-2,2-Dimethyl-3-isopropenylcyclobutanemethanol acetate
CID 11159909
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate
CID 163189059
[(R)-2,2-Dimethyl-3-(1-methylethylidene)cyclobutyl]methyl (S)-2-methylbutanoate
CID 11299404
(1R,3R)-3-isopropenyl-2,2-dimethylcyclobutylmethyl 3-methyl-3-butenoate
CID 11310917
(2,2-Dimethyl-3-isopropylidenecyclobutyl)methyl 2-methylbutanoate
CID 72789964

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate?
The IUPAC name of 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate (CID 164948323) is 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate is C=C1CC(C(=O)OCC(C)C)C1(C)C.
What is the InChIKey of 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate?
The InChIKey is VNUMWPPUMIGWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)7-14-11(13)10-6-9(3)12(10,4)5/h8,10H,3,6-7H2,1-2,4-5H3.
What are the key properties of 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate?
2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate has a molecular weight of 196.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2,2-dimethyl-3-methylidenecyclobutane-1-carboxylate is sourced from PubChem (CID 164948323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).