1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one

C17H28O2 — CID 67370172

IUPAC1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one
SMILESCC(C)CCCCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C17H28O2/c1-15(2)9-5-3-4-6-12-17(18)14-19-13-16-10-7-8-11-16/h7-8,10-11,15-16H,3-6,9,12-14H2,1-2H3
InChIKeyOFVQXCYRWJMLAY-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.31
Rot. Bonds11

About 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one

1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one (PubChem CID 67370172) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one
PubChem CID67370172
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one
SMILESCC(C)CCCCCCC(=O)COCC1C=CC=C1
InChIInChI=1S/C17H28O2/c1-15(2)9-5-3-4-6-12-17(18)14-19-13-16-10-7-8-11-16/h7-8,10-11,15-16H,3-6,9,12-14H2,1-2H3
InChIKeyOFVQXCYRWJMLAY-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.31
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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Related Compounds

1-(cyclohexylmethoxy)-8-methylnonan-2-one
CID 66919833
2,16-dimethylheptadecan-6-one
CID 158111781
14-methyl-1-(3-methylbutoxy)pentadecane-4,8-dione
CID 163560833
methane;5-methyl-1-(5-methylhexoxy)hexan-2-one
CID 158481214
5-(4-methylpentyl)cyclopenta-1,3-diene
CID 157130017
14-methylpentadecane-2,8-dione
CID 159096890
35-methylhexatriacontan-18-one
CID 154265958
6-methyl-1-[(2-methylpropan-2-yl)oxy]heptan-2-one
CID 105125614
11-methyldodecanethioic S-acid
CID 172636050
13-methyl-3-oxotetradecanoic acid
CID 171037403
7-methyloctanoyl 16-methylheptadecanoate
CID 140995309
18-methylnonadecan-2-one
CID 90921447

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one (CID 67370172) is 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one is CC(C)CCCCCCC(=O)COCC1C=CC=C1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one?
The InChIKey is OFVQXCYRWJMLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-15(2)9-5-3-4-6-12-17(18)14-19-13-16-10-7-8-11-16/h7-8,10-11,15-16H,3-6,9,12-14H2,1-2H3.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one?
1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one has a molecular weight of 264.41 g/mol, XLogP of 4.31, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-2,4-dien-1-ylmethoxy)-9-methyldecan-2-one is sourced from PubChem (CID 67370172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).