6,10-dimethyldodecan-2-one

C14H28O — CID 14707953

IUPAC6,10-dimethyldodecan-2-one
SMILESCCC(C)CCCC(C)CCCC(C)=O
InChIInChI=1S/C14H28O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h12-13H,5-11H2,1-4H3
InChIKeyCVUJPEFABHFRBO-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.60
Rot. Bonds9

About 6,10-dimethyldodecan-2-one

6,10-dimethyldodecan-2-one (PubChem CID 14707953) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 6,10-dimethyldodecan-2-one.

Molecular Properties

Compound Name6,10-dimethyldodecan-2-one
PubChem CID14707953
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name6,10-dimethyldodecan-2-one
SMILESCCC(C)CCCC(C)CCCC(C)=O
InChIInChI=1S/C14H28O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h12-13H,5-11H2,1-4H3
InChIKeyCVUJPEFABHFRBO-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-6,10-dimethyltridecan-2-one
CID 87377837
7-methyldecan-2-one
CID 54155197
11,13-dimethylpentadecan-2-one
CID 88850025
8-methylundecan-2-one
CID 19847213
17-methylpentacosan-2-one
CID 57068605
(3R,7R)-3,7-dimethylnonane
CID 42626759
3-hydroxy-7-methylnonan-2-one
CID 87291437
9,9-dimethoxy-6-methylnonan-2-one
CID 14103320
5,9-dimethyl-11-sulfanylundecan-2-one
CID 121451514
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
(2R,6R)-2,6-dimethyloctanoic acid
CID 100977919
methyl 9,13-dimethylpentadecanoate
CID 162457550

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyldodecan-2-one?
The IUPAC name of 6,10-dimethyldodecan-2-one (CID 14707953) is 6,10-dimethyldodecan-2-one.
What is the SMILES notation for 6,10-dimethyldodecan-2-one?
The canonical SMILES for 6,10-dimethyldodecan-2-one is CCC(C)CCCC(C)CCCC(C)=O.
What is the InChIKey of 6,10-dimethyldodecan-2-one?
The InChIKey is CVUJPEFABHFRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h12-13H,5-11H2,1-4H3.
What are the key properties of 6,10-dimethyldodecan-2-one?
6,10-dimethyldodecan-2-one has a molecular weight of 212.38 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyldodecan-2-one is sourced from PubChem (CID 14707953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).