methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate

C10H16O2 — CID 71399973

IUPACmethyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC(C(=O)OC)C1(C)C
InChIInChI=1S/C10H16O2/c1-7-5-6-8(9(11)12-4)10(7,2)3/h8H,1,5-6H2,2-4H3
InChIKeyDFUPBVAJURBRBZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds1

About methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate

methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate (PubChem CID 71399973) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
PubChem CID71399973
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC(C(=O)OC)C1(C)C
InChIInChI=1S/C10H16O2/c1-7-5-6-8(9(11)12-4)10(7,2)3/h8H,1,5-6H2,2-4H3
InChIKeyDFUPBVAJURBRBZ-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
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 (1R)-2,2-dimethyl-3-oxocyclopentane-1-carboxylate
CID 14805634
methyl (4S)-7-methylidenespiro[2.4]heptane-4-carboxylate
CID 639206
methyl (3Z)-3-hydroxyimino-2,2-dimethylcyclobutane-1-carboxylate
CID 118162231
methyl 2,2,4-trimethylcyclohex-3-ene-1-carboxylate
CID 16752843
trans-methyl (1S,3S)-2,2,3-trimethyl-4-oxocyclohexane-1-carboxylate
CID 99985123
methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
CID 45089915
trans-dimethyl (1S,2S)-3-methylidenecyclopentane-1,2-dicarboxylate
CID 22214590
methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate
CID 10899080
trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
CID 10909650
methyl 2-methylidenecyclopentane-1-carboxylate
CID 557112
methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
CID 58476988
cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
CID 11435080

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate (CID 71399973) is methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate is C=C1CCC(C(=O)OC)C1(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate?
The InChIKey is DFUPBVAJURBRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-6-8(9(11)12-4)10(7,2)3/h8H,1,5-6H2,2-4H3.
What are the key properties of methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate?
methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 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-3-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 71399973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).