methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate

C11H14O2 — CID 121219205

IUPACmethyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate
SMILESCOC(=O)C1=C(C)C=CC1=C(C)C
InChIInChI=1S/C11H14O2/c1-7(2)9-6-5-8(3)10(9)11(12)13-4/h5-6H,1-4H3
InChIKeyMBGUJNFNOAGHRG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds1

About methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate

methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate (PubChem CID 121219205) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate
PubChem CID121219205
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Namemethyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate
SMILESCOC(=O)C1=C(C)C=CC1=C(C)C
InChIInChI=1S/C11H14O2/c1-7(2)9-6-5-8(3)10(9)11(12)13-4/h5-6H,1-4H3
InChIKeyMBGUJNFNOAGHRG-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-5-propan-2-ylidenecyclopenta-1,3-diene
CID 19033295
dimethyl 5-(1-aminoethylidene)-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
CID 600075
(1E)-1-(2-methoxycarbonylcyclopenta-2,4-dien-1-ylidene)ethanolate
CID 54708782
methyl 2-methyl-3-oxoindene-1-carboxylate
CID 608758
3-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-one
CID 166057582
methyl 2-methyl-4-oxofuran-3-carboxylate
CID 91619935
dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684
methyl (3Z)-4-acetyl-3-(1-hydroxyethylidene)-5-methylcyclopenta-1,4-diene-1-carboxylate
CID 54679639
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
dimethyl thiirene-2,3-dicarboxylate
CID 71322546
methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
CID 6957297

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate (CID 121219205) is methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate is COC(=O)C1=C(C)C=CC1=C(C)C.
What is the InChIKey of methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate?
The InChIKey is MBGUJNFNOAGHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)9-6-5-8(3)10(9)11(12)13-4/h5-6H,1-4H3.
What are the key properties of methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate?
methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate has a molecular weight of 178.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-propan-2-ylidenecyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 121219205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).