methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate

C15H20O3 — CID 70084866

IUPACmethyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate
SMILESCOC(=O)C1=CC=C(OC)C(=C2CCCC2)C1C
InChIInChI=1S/C15H20O3/c1-10-12(15(16)18-3)8-9-13(17-2)14(10)11-6-4-5-7-11/h8-10H,4-7H2,1-3H3
InChIKeyWPVXSBPNMJACCU-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.14
Rot. Bonds2

About methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate

methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate (PubChem CID 70084866) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate
PubChem CID70084866
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate
SMILESCOC(=O)C1=CC=C(OC)C(=C2CCCC2)C1C
InChIInChI=1S/C15H20O3/c1-10-12(15(16)18-3)8-9-13(17-2)14(10)11-6-4-5-7-11/h8-10H,4-7H2,1-3H3
InChIKeyWPVXSBPNMJACCU-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate?
The IUPAC name of methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate (CID 70084866) is methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate.
What is the SMILES notation for methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate?
The canonical SMILES for methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate is COC(=O)C1=CC=C(OC)C(=C2CCCC2)C1C.
What is the InChIKey of methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate?
The InChIKey is WPVXSBPNMJACCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-12(15(16)18-3)8-9-13(17-2)14(10)11-6-4-5-7-11/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate?
methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate is sourced from PubChem (CID 70084866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).