cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone

C17H28O2 — CID 106652274

IUPACcyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)C2=CCCCCC2)CCCC(C)C1
InChIInChI=1S/C17H28O2/c1-3-19-17(12-8-9-14(2)13-17)16(18)15-10-6-4-5-7-11-15/h10,14H,3-9,11-13H2,1-2H3
InChIKeyUZGGXCGUPLHATG-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.43
Rot. Bonds4

About cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone

cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone (PubChem CID 106652274) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
PubChem CID106652274
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namecyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)C2=CCCCCC2)CCCC(C)C1
InChIInChI=1S/C17H28O2/c1-3-19-17(12-8-9-14(2)13-17)16(18)15-10-6-4-5-7-11-15/h10,14H,3-9,11-13H2,1-2H3
InChIKeyUZGGXCGUPLHATG-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone?
The IUPAC name of cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone (CID 106652274) is cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone is CCOC1(C(=O)C2=CCCCCC2)CCCC(C)C1.
What is the InChIKey of cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone?
The InChIKey is UZGGXCGUPLHATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-19-17(12-8-9-14(2)13-17)16(18)15-10-6-4-5-7-11-15/h10,14H,3-9,11-13H2,1-2H3.
What are the key properties of cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone?
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone has a molecular weight of 264.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone is sourced from PubChem (CID 106652274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).