ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate

C10H14O2 — CID 11643986

IUPACethyl 6-methylcyclohexa-1,5-diene-1-carboxylate
SMILESCCOC(=O)C1=CCCC=C1C
InChIInChI=1S/C10H14O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h6-7H,3-5H2,1-2H3
InChIKeyZDQIUEVRMOYBJP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds2

About ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate

ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate (PubChem CID 11643986) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-methylcyclohexa-1,5-diene-1-carboxylate
PubChem CID11643986
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nameethyl 6-methylcyclohexa-1,5-diene-1-carboxylate
SMILESCCOC(=O)C1=CCCC=C1C
InChIInChI=1S/C10H14O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h6-7H,3-5H2,1-2H3
InChIKeyZDQIUEVRMOYBJP-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-methyl-2-pentenoate, (2E)-
CID 6436311
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
2,3-Anhydromevalonic acid
CID 557445
ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 76918
Methyl (7E)-7-(2E)-2-buten-1-ylidene-1,7-dihydro-1-oxocyclopenta(c)pyran-4-carboxylate
CID 5281541
Nocapyrone E
CID 53345949
Methyl cyclohexa-1,4-diene-1-carboxylate
CID 297201
Ethyl cyclohexa-1,3-diene-1-carboxylate
CID 11094816
Zinc bromide 4-(ethoxycarbonyl)benzen-1-ide (1/1/1)
CID 11300882
(5R)-5-(1E)-1,3-Butadien-1-yl-3-(1E)-1-propen-1-yl-2(5H)-furanone
CID 10965058
Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate
CID 72306
3-Methyl-5,6-dihydro-2H-pyran-2-one
CID 12553931

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate?
The IUPAC name of ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate (CID 11643986) is ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate.
What is the SMILES notation for ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate?
The canonical SMILES for ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate is CCOC(=O)C1=CCCC=C1C.
What is the InChIKey of ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate?
The InChIKey is ZDQIUEVRMOYBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate?
ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate has a molecular weight of 166.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methylcyclohexa-1,5-diene-1-carboxylate is sourced from PubChem (CID 11643986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).