methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate

C10H16O2 — CID 141020138

IUPACmethyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate
SMILESCC=CC1(C(=O)OC)CC1(C)C
InChIInChI=1S/C10H16O2/c1-5-6-10(8(11)12-4)7-9(10,2)3/h5-6H,7H2,1-4H3
InChIKeyRPPMCAHRAIABED-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate

methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate (PubChem CID 141020138) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate
PubChem CID141020138
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate
SMILESCC=CC1(C(=O)OC)CC1(C)C
InChIInChI=1S/C10H16O2/c1-5-6-10(8(11)12-4)7-9(10,2)3/h5-6H,7H2,1-4H3
InChIKeyRPPMCAHRAIABED-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 3-[(E)-prop-1-enyl]bicyclo[1.1.1]pentane-1-carboxylate
CID 163374181
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
CID 146204019
methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate
CID 10081997
methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842789
methyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 580337
methyl 2-acetyl-1,2-dimethylcyclopropane-1-carboxylate
CID 45086506
methyl 1-amino-3-hydroxy-4,4-dimethylcyclohexane-1-carboxylate
CID 165497125
methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842886
methyl 2,2-dimethyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carboxylate
CID 116842847
dimethyl (1R,4S,5S)-5-methyl-3-propan-2-ylidene-5-[(Z)-prop-1-enyl]bicyclo[2.1.0]pentane-2,2-dicarboxylate
CID 102215612

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate (CID 141020138) is methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate is CC=CC1(C(=O)OC)CC1(C)C.
What is the InChIKey of methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate?
The InChIKey is RPPMCAHRAIABED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-6-10(8(11)12-4)7-9(10,2)3/h5-6H,7H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate?
methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate is sourced from PubChem (CID 141020138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).