methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate

C10H14O2 — CID 15370782

IUPACmethyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate
SMILESC=C=C1C(CC(=O)OC)C1(C)C
InChIInChI=1S/C10H14O2/c1-5-7-8(10(7,2)3)6-9(11)12-4/h8H,1,6H2,2-4H3
InChIKeySTITYGDAEGPEDX-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.92
Rot. Bonds2

About methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate

methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate (PubChem CID 15370782) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate
PubChem CID15370782
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namemethyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate
SMILESC=C=C1C(CC(=O)OC)C1(C)C
InChIInChI=1S/C10H14O2/c1-5-7-8(10(7,2)3)6-9(11)12-4/h8H,1,6H2,2-4H3
InChIKeySTITYGDAEGPEDX-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate
CID 135069412
methyl 2-(3,3-dimethylcyclobutyl)acetate
CID 15457661
methyl 2-[(1S)-2-iodo-6,6-dimethylcyclohex-2-en-1-yl]acetate
CID 11666698
methyl 2-[(1S)-3-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetate
CID 163184192
methyl 2-(2,2-difluorocyclopropyl)acetate
CID 146229342
methyl 2-[(1S,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetate
CID 736113
methyl 2-[(1R,3E)-3-(2-methoxyethylidene)-2,2-dimethylcyclopentyl]acetate
CID 12973041
methyl 2-[(1S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl]acetate
CID 11127877
methyl (3E)-3-[2-(2-methoxy-2-oxoethyl)-3,3-dimethylcyclohexylidene]propanoate
CID 10880097
methyl 2-[1-[(2-bromophenyl)methyl]-4,4-dimethyl-5-methylidene-2-oxopyrrolidin-3-yl]acetate
CID 101133327
methyl 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 129184793
methyl 3-[(3S)-4,4-dimethyl-5-methylidene-2-oxooxolan-3-yl]propanoate
CID 101237574

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate?
The IUPAC name of methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate (CID 15370782) is methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate.
What is the SMILES notation for methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate?
The canonical SMILES for methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate is C=C=C1C(CC(=O)OC)C1(C)C.
What is the InChIKey of methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate?
The InChIKey is STITYGDAEGPEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-7-8(10(7,2)3)6-9(11)12-4/h8H,1,6H2,2-4H3.
What are the key properties of methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate?
methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate has a molecular weight of 166.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethenylidene-2,2-dimethylcyclopropyl)acetate is sourced from PubChem (CID 15370782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).