methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate

C10H16O2 — CID 549161

IUPACmethyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate
SMILESC=CC(C)C1(C)CC1C(=O)OC
InChIInChI=1S/C10H16O2/c1-5-7(2)10(3)6-8(10)9(11)12-4/h5,7-8H,1,6H2,2-4H3
InChIKeyAGVWMDPIMZFFEY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate

methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate (PubChem CID 549161) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate
PubChem CID549161
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate
SMILESC=CC(C)C1(C)CC1C(=O)OC
InChIInChI=1S/C10H16O2/c1-5-7(2)10(3)6-8(10)9(11)12-4/h5,7-8H,1,6H2,2-4H3
InChIKeyAGVWMDPIMZFFEY-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.01
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

[(1S,3S)-2,2-dimethyl-3-prop-2-enylcyclopropyl]methyl acetate
CID 163106225
Ethyl 2-ethyl-2-prop-2-enylhexanoate
CID 15311378
Methyl 2-methylhept-6-enoate
CID 17825070
Methyl 3-ethenylhexanoate
CID 86203534
methyl 2-[(1R,3S)-3-ethenyl-2,2-difluoro-1-methylcyclopropyl]acetate
CID 166524736
Methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate
CID 174667169
Methyl 2,2-dimethyl-3-(prop-1-EN-1-YL)cyclopropane-1-carboxylate
CID 6536966
Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, ethyl ester
CID 565177
Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
CID 565328
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-propenyl-, methyl ester, (Z)-trans-
CID 5370118
Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, methyl ester, trans-
CID 12496208
Methyl 1-Allylcyclopentanecarboxylate
CID 14976613

Frequently Asked Questions

What is the IUPAC name of methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate (CID 549161) is methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate is C=CC(C)C1(C)CC1C(=O)OC.
What is the InChIKey of methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate?
The InChIKey is AGVWMDPIMZFFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-7(2)10(3)6-8(10)9(11)12-4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate?
methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-but-3-en-2-yl-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 549161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).