cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone

C15H24O3 — CID 106652262

IUPACcycloocten-1-yl-(4-methoxyoxan-4-yl)methanone
SMILESCOC1(C(=O)C2=CCCCCCC2)CCOCC1
InChIInChI=1S/C15H24O3/c1-17-15(9-11-18-12-10-15)14(16)13-7-5-3-2-4-6-8-13/h7H,2-6,8-12H2,1H3
InChIKeyPMFFDZSTCOFHLT-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.03
Rot. Bonds3

About cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone

cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone (PubChem CID 106652262) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl-(4-methoxyoxan-4-yl)methanone
PubChem CID106652262
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namecycloocten-1-yl-(4-methoxyoxan-4-yl)methanone
SMILESCOC1(C(=O)C2=CCCCCCC2)CCOCC1
InChIInChI=1S/C15H24O3/c1-17-15(9-11-18-12-10-15)14(16)13-7-5-3-2-4-6-8-13/h7H,2-6,8-12H2,1H3
InChIKeyPMFFDZSTCOFHLT-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone?
The IUPAC name of cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone (CID 106652262) is cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone.
What is the SMILES notation for cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone?
The canonical SMILES for cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone is COC1(C(=O)C2=CCCCCCC2)CCOCC1.
What is the InChIKey of cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone?
The InChIKey is PMFFDZSTCOFHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-17-15(9-11-18-12-10-15)14(16)13-7-5-3-2-4-6-8-13/h7H,2-6,8-12H2,1H3.
What are the key properties of cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone?
cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone has a molecular weight of 252.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone is sourced from PubChem (CID 106652262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).