1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one

C18H34O2 — CID 67498292

IUPAC1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one
SMILESCOCC1(C(=O)CCCCCC(C)C)C(C)CCC1C
InChIInChI=1S/C18H34O2/c1-14(2)9-7-6-8-10-17(19)18(13-20-5)15(3)11-12-16(18)4/h14-16H,6-13H2,1-5H3
InChIKeyMAGRVLGXCRZDLZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.86
Rot. Bonds9

About 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one

1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one (PubChem CID 67498292) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one
PubChem CID67498292
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one
SMILESCOCC1(C(=O)CCCCCC(C)C)C(C)CCC1C
InChIInChI=1S/C18H34O2/c1-14(2)9-7-6-8-10-17(19)18(13-20-5)15(3)11-12-16(18)4/h14-16H,6-13H2,1-5H3
InChIKeyMAGRVLGXCRZDLZ-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.86
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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Related Compounds

1-[1-(methoxymethyl)-2,6-dimethylcyclohexa-2,5-dien-1-yl]-7-methyloctan-1-one
CID 67498587
methyl 21-methyldocosanoate
CID 14178788
methoxymethane;16-methylheptadecanoic acid
CID 175921970
N-methoxy-7-methyloctanamide
CID 174552254
1-cyclopentyl-7-methyloctan-1-one
CID 155793674
8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470117
CID 57354386
CID 57354386
6-O-cyclohexyl 1-O-(7-methyloctyl) hexanedioate
CID 140963269
1-[2-(2-methoxyethyl)-6-methylcyclohexyl]-8-methylnonan-1-one
CID 66919886
7-methyloctanoyl 16-methylheptadecanoate
CID 140995309
1-[1-(methoxymethyl)cyclohexa-2,5-dien-1-yl]-8-methylnonan-1-one;1-(1-methoxy-2-methylcyclohexa-2,5-dien-1-yl)-7-methyloctan-1-one
CID 174733673
bis(10-methylundecyl) octanedioate
CID 121388088

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one (CID 67498292) is 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one is COCC1(C(=O)CCCCCC(C)C)C(C)CCC1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one?
The InChIKey is MAGRVLGXCRZDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-14(2)9-7-6-8-10-17(19)18(13-20-5)15(3)11-12-16(18)4/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one?
1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one has a molecular weight of 282.47 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]-7-methyloctan-1-one is sourced from PubChem (CID 67498292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).