1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone

C14H24O2 — CID 91269427

IUPAC1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone
SMILESC=C(OC)C1CCCC(C)CC(C(C)=O)C1
InChIInChI=1S/C14H24O2/c1-10-6-5-7-13(12(3)16-4)9-14(8-10)11(2)15/h10,13-14H,3,5-9H2,1-2,4H3
InChIKeyUHVZNMWGMUDEOT-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds3

About 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone

1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone (PubChem CID 91269427) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone
PubChem CID91269427
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone
SMILESC=C(OC)C1CCCC(C)CC(C(C)=O)C1
InChIInChI=1S/C14H24O2/c1-10-6-5-7-13(12(3)16-4)9-14(8-10)11(2)15/h10,13-14H,3,5-9H2,1-2,4H3
InChIKeyUHVZNMWGMUDEOT-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone?
The IUPAC name of 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone (CID 91269427) is 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone.
What is the SMILES notation for 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone?
The canonical SMILES for 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone is C=C(OC)C1CCCC(C)CC(C(C)=O)C1.
What is the InChIKey of 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone?
The InChIKey is UHVZNMWGMUDEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10-6-5-7-13(12(3)16-4)9-14(8-10)11(2)15/h10,13-14H,3,5-9H2,1-2,4H3.
What are the key properties of 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone?
1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone has a molecular weight of 224.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxyethenyl)-7-methylcyclooctyl]ethanone is sourced from PubChem (CID 91269427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).