1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one

C18H34O2 — CID 67418604

IUPAC1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one
SMILESCCCCCCCCC(=O)C(OC)C1C(C)CCC1C
InChIInChI=1S/C18H34O2/c1-5-6-7-8-9-10-11-16(19)18(20-4)17-14(2)12-13-15(17)3/h14-15,17-18H,5-13H2,1-4H3
InChIKeyFWPAYBBSOSIMNW-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.00
Rot. Bonds10

About 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one

1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one (PubChem CID 67418604) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one
PubChem CID67418604
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one
SMILESCCCCCCCCC(=O)C(OC)C1C(C)CCC1C
InChIInChI=1S/C18H34O2/c1-5-6-7-8-9-10-11-16(19)18(20-4)17-14(2)12-13-15(17)3/h14-15,17-18H,5-13H2,1-4H3
InChIKeyFWPAYBBSOSIMNW-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.00
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-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one
CID 67436154
1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one
CID 118577342
1-cyclopropyl-1-methoxytetradecan-2-one
CID 116708948
1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one
CID 67420374
1-cyclopropyl-1-ethoxyheptan-2-one
CID 116709315
1,1-dimethoxyoctadecan-2-one
CID 54059971
4-methoxypentadecan-5-one
CID 116708152
cyclopropyl decanoate
CID 154321154
2-methoxy-3-oxoundecanamide
CID 91551788
methyl tetradecanoate
CID 89052795
25-methylnonatetracontane-24,26-dione
CID 173069947
methyl octadecanoate;methyl octanoate
CID 157178883

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one?
The IUPAC name of 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one (CID 67418604) is 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one.
What is the SMILES notation for 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one?
The canonical SMILES for 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one is CCCCCCCCC(=O)C(OC)C1C(C)CCC1C.
What is the InChIKey of 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one?
The InChIKey is FWPAYBBSOSIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-6-7-8-9-10-11-16(19)18(20-4)17-14(2)12-13-15(17)3/h14-15,17-18H,5-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one?
1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one has a molecular weight of 282.47 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one is sourced from PubChem (CID 67418604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).