1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one

C14H22O2 — CID 67419071

IUPAC1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one
SMILESCOC(C(=O)CCC(C)C)C1C=CC=C1C
InChIInChI=1S/C14H22O2/c1-10(2)8-9-13(15)14(16-4)12-7-5-6-11(12)3/h5-7,10,12,14H,8-9H2,1-4H3
InChIKeyMKVGCYYDQDQDFE-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.14
Rot. Bonds6

About 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one

1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one (PubChem CID 67419071) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one.

Molecular Properties

Compound Name1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one
PubChem CID67419071
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one
SMILESCOC(C(=O)CCC(C)C)C1C=CC=C1C
InChIInChI=1S/C14H22O2/c1-10(2)8-9-13(15)14(16-4)12-7-5-6-11(12)3/h5-7,10,12,14H,8-9H2,1-4H3
InChIKeyMKVGCYYDQDQDFE-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one?
The IUPAC name of 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one (CID 67419071) is 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one.
What is the SMILES notation for 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one?
The canonical SMILES for 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one is COC(C(=O)CCC(C)C)C1C=CC=C1C.
What is the InChIKey of 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one?
The InChIKey is MKVGCYYDQDQDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)8-9-13(15)14(16-4)12-7-5-6-11(12)3/h5-7,10,12,14H,8-9H2,1-4H3.
What are the key properties of 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one?
1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one has a molecular weight of 222.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methyl-1-(2-methylcyclopenta-2,4-dien-1-yl)hexan-2-one is sourced from PubChem (CID 67419071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).