methyl 1-methylcyclooct-3-ene-1-carboxylate

C11H18O2 — CID 154053677

IUPACmethyl 1-methylcyclooct-3-ene-1-carboxylate
SMILESCOC(=O)C1(C)CC=CCCCC1
InChIInChI=1S/C11H18O2/c1-11(10(12)13-2)8-6-4-3-5-7-9-11/h4,6H,3,5,7-9H2,1-2H3
InChIKeyFSHQYUOKBNZPJG-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds1

About methyl 1-methylcyclooct-3-ene-1-carboxylate

methyl 1-methylcyclooct-3-ene-1-carboxylate (PubChem CID 154053677) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 1-methylcyclooct-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylcyclooct-3-ene-1-carboxylate
PubChem CID154053677
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 1-methylcyclooct-3-ene-1-carboxylate
SMILESCOC(=O)C1(C)CC=CCCCC1
InChIInChI=1S/C11H18O2/c1-11(10(12)13-2)8-6-4-3-5-7-9-11/h4,6H,3,5,7-9H2,1-2H3
InChIKeyFSHQYUOKBNZPJG-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 5-hydroxy-1-methylcyclooct-3-ene-1-carboxylate
CID 123472721
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
ethenyl 1-methylcyclohex-3-ene-1-carboxylate
CID 102248090
methyl 1-(benzenesulfonyl)cyclonon-3-ene-1-carboxylate
CID 71404997
2-hydroxyethyl 1-methylcyclohex-3-ene-1-carboxylate
CID 13215604
dimethyl cyclotetradeca-3,4-diene-1,1-dicarboxylate
CID 177452576
methyl (1R)-1-methyl-3-oxocyclohexane-1-carboxylate
CID 12576327
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
tetramethyl (6Z,13S,15R,16R,18R)-14,17-dioxotricyclo[10.3.3.01,12]octadec-6-ene-13,15,16,18-tetracarboxylate
CID 92975608
methyl (1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylate
CID 159107949
1-methylcyclopentane-1-carboperoxoic acid
CID 156838761
dimethyl (10E)-1-oxacyclododec-10-en-3-yne-6,6-dicarboxylate
CID 122367448

Frequently Asked Questions

What is the IUPAC name of methyl 1-methylcyclooct-3-ene-1-carboxylate?
The IUPAC name of methyl 1-methylcyclooct-3-ene-1-carboxylate (CID 154053677) is methyl 1-methylcyclooct-3-ene-1-carboxylate.
What is the SMILES notation for methyl 1-methylcyclooct-3-ene-1-carboxylate?
The canonical SMILES for methyl 1-methylcyclooct-3-ene-1-carboxylate is COC(=O)C1(C)CC=CCCCC1.
What is the InChIKey of methyl 1-methylcyclooct-3-ene-1-carboxylate?
The InChIKey is FSHQYUOKBNZPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(10(12)13-2)8-6-4-3-5-7-9-11/h4,6H,3,5,7-9H2,1-2H3.
What are the key properties of methyl 1-methylcyclooct-3-ene-1-carboxylate?
methyl 1-methylcyclooct-3-ene-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylcyclooct-3-ene-1-carboxylate is sourced from PubChem (CID 154053677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).