1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one

C19H36O2 — CID 118577342

IUPAC1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one
SMILESCCCCCCCCC(=O)C(OC)C1C(C)CCCC1C
InChIInChI=1S/C19H36O2/c1-5-6-7-8-9-10-14-17(20)19(21-4)18-15(2)12-11-13-16(18)3/h15-16,18-19H,5-14H2,1-4H3
InChIKeyBDVWAGITLUNZFS-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.39
Rot. Bonds10

About 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one

1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one (PubChem CID 118577342) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one
PubChem CID118577342
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one
SMILESCCCCCCCCC(=O)C(OC)C1C(C)CCCC1C
InChIInChI=1S/C19H36O2/c1-5-6-7-8-9-10-14-17(20)19(21-4)18-15(2)12-11-13-16(18)3/h15-16,18-19H,5-14H2,1-4H3
InChIKeyBDVWAGITLUNZFS-UHFFFAOYSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.39
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-methoxydecan-2-one
CID 67418604
1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one
CID 67436154
1-cyclopropyl-1-methoxytetradecan-2-one
CID 116708948
1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one
CID 67420374
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
1-cyclopropyl-1-ethoxyheptan-2-one
CID 116709315
1,1-dimethoxyoctadecan-2-one
CID 54059971
1-(2-methylcyclopentyl)hexan-1-one
CID 107186773
cyclobutyl pentadecanoate
CID 46229794
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
1-[(2,6-dimethylcyclohexyl)methoxy]octan-2-one
CID 70984403

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one?
The IUPAC name of 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one (CID 118577342) is 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one.
What is the SMILES notation for 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one?
The canonical SMILES for 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one is CCCCCCCCC(=O)C(OC)C1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one?
The InChIKey is BDVWAGITLUNZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-5-6-7-8-9-10-14-17(20)19(21-4)18-15(2)12-11-13-16(18)3/h15-16,18-19H,5-14H2,1-4H3.
What are the key properties of 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one?
1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one has a molecular weight of 296.50 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one is sourced from PubChem (CID 118577342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).