2-(6-methylheptoxy)cyclohex-2-en-1-one

C14H24O2 — CID 170711358

IUPAC2-(6-methylheptoxy)cyclohex-2-en-1-one
SMILESCC(C)CCCCCOC1=CCCCC1=O
InChIInChI=1S/C14H24O2/c1-12(2)8-4-3-7-11-16-14-10-6-5-9-13(14)15/h10,12H,3-9,11H2,1-2H3
InChIKeyROZGVGSECYNORY-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds7

About 2-(6-methylheptoxy)cyclohex-2-en-1-one

2-(6-methylheptoxy)cyclohex-2-en-1-one (PubChem CID 170711358) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(6-methylheptoxy)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(6-methylheptoxy)cyclohex-2-en-1-one
PubChem CID170711358
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(6-methylheptoxy)cyclohex-2-en-1-one
SMILESCC(C)CCCCCOC1=CCCCC1=O
InChIInChI=1S/C14H24O2/c1-12(2)8-4-3-7-11-16-14-10-6-5-9-13(14)15/h10,12H,3-9,11H2,1-2H3
InChIKeyROZGVGSECYNORY-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptoxy)cyclohex-2-en-1-one?
The IUPAC name of 2-(6-methylheptoxy)cyclohex-2-en-1-one (CID 170711358) is 2-(6-methylheptoxy)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(6-methylheptoxy)cyclohex-2-en-1-one?
The canonical SMILES for 2-(6-methylheptoxy)cyclohex-2-en-1-one is CC(C)CCCCCOC1=CCCCC1=O.
What is the InChIKey of 2-(6-methylheptoxy)cyclohex-2-en-1-one?
The InChIKey is ROZGVGSECYNORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(2)8-4-3-7-11-16-14-10-6-5-9-13(14)15/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 2-(6-methylheptoxy)cyclohex-2-en-1-one?
2-(6-methylheptoxy)cyclohex-2-en-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptoxy)cyclohex-2-en-1-one is sourced from PubChem (CID 170711358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).