methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate

C9H10O2 — CID 175387361

IUPACmethyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate
SMILESC=C1C=CC=C(C(=O)OC)C1
InChIInChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-5H,1,6H2,2H3
InChIKeyGBSVGFAVWNTEHA-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.60
Rot. Bonds1

About methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate

methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate (PubChem CID 175387361) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate
PubChem CID175387361
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Namemethyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate
SMILESC=C1C=CC=C(C(=O)OC)C1
InChIInChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-5H,1,6H2,2H3
InChIKeyGBSVGFAVWNTEHA-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate?
The IUPAC name of methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate (CID 175387361) is methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate.
What is the SMILES notation for methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate?
The canonical SMILES for methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate is C=C1C=CC=C(C(=O)OC)C1.
What is the InChIKey of methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate?
The InChIKey is GBSVGFAVWNTEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-5H,1,6H2,2H3.
What are the key properties of methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate?
methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate has a molecular weight of 150.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate is sourced from PubChem (CID 175387361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).