2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one

C14H24O2 — CID 175145295

IUPAC2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one
SMILESCOC(CC1=CCCCC1=O)CC(C)(C)C
InChIInChI=1S/C14H24O2/c1-14(2,3)10-12(16-4)9-11-7-5-6-8-13(11)15/h7,12H,5-6,8-10H2,1-4H3
InChIKeyASRWIJDXAAFMPU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.51
Rot. Bonds4

About 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one

2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one (PubChem CID 175145295) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one
PubChem CID175145295
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one
SMILESCOC(CC1=CCCCC1=O)CC(C)(C)C
InChIInChI=1S/C14H24O2/c1-14(2,3)10-12(16-4)9-11-7-5-6-8-13(11)15/h7,12H,5-6,8-10H2,1-4H3
InChIKeyASRWIJDXAAFMPU-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one (CID 175145295) is 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one is COC(CC1=CCCCC1=O)CC(C)(C)C.
What is the InChIKey of 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one?
The InChIKey is ASRWIJDXAAFMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(2,3)10-12(16-4)9-11-7-5-6-8-13(11)15/h7,12H,5-6,8-10H2,1-4H3.
What are the key properties of 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one?
2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,4-dimethylpentyl)cyclohex-2-en-1-one is sourced from PubChem (CID 175145295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).