methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate

C11H16O2 — CID 135074959

IUPACmethyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate
SMILESC=CC1C(/C=C/C(=O)OC)C1(C)C
InChIInChI=1S/C11H16O2/c1-5-8-9(11(8,2)3)6-7-10(12)13-4/h5-9H,1H2,2-4H3/b7-6+
InChIKeyBUPCNJJAOPAPMA-VOTSOKGWSA-N
MW180.25 g/mol
LogP2.17
Rot. Bonds3

About methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate

methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate (PubChem CID 135074959) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate
PubChem CID135074959
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate
SMILESC=CC1C(/C=C/C(=O)OC)C1(C)C
InChIInChI=1S/C11H16O2/c1-5-8-9(11(8,2)3)6-7-10(12)13-4/h5-9H,1H2,2-4H3/b7-6+
InChIKeyBUPCNJJAOPAPMA-VOTSOKGWSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate
CID 12807756
trans-ethyl (1R,3S)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 86739238
methyl (E)-3-[(1R,6R)-2,2,6-trimethylcyclohexyl]prop-2-enoate
CID 87083563
CID 160615105
CID 160615105
(Z)-3-(3-methoxycarbonyl-2,2-dimethylcyclopropyl)prop-2-enoic acid
CID 139635749
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
methyl (E)-3-[(1R)-2,2-difluoro-3-phenylcyclopropyl]prop-2-enoate
CID 134970714
methyl (E)-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enoate
CID 52916605
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
methyl (E)-3-[(2R)-2,3-dimethylaziridin-2-yl]prop-2-enoate
CID 5461781
dimethyl octa-2,4,6-trienedioate
CID 5250542
methyl (2E)-octadeca-2,17-dienoate
CID 11781391

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate (CID 135074959) is methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate is C=CC1C(/C=C/C(=O)OC)C1(C)C.
What is the InChIKey of methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate?
The InChIKey is BUPCNJJAOPAPMA-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-8-9(11(8,2)3)6-7-10(12)13-4/h5-9H,1H2,2-4H3/b7-6+.
What are the key properties of methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate?
methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate has a molecular weight of 180.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(3-ethenyl-2,2-dimethylcyclopropyl)prop-2-enoate is sourced from PubChem (CID 135074959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).