8-hydroxy-2,11-dimethyldodecan-5-one

C14H28O2 — CID 54387052

IUPAC8-hydroxy-2,11-dimethyldodecan-5-one
SMILESCC(C)CCC(=O)CCC(O)CCC(C)C
InChIInChI=1S/C14H28O2/c1-11(2)5-7-13(15)9-10-14(16)8-6-12(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyVDZBYPRLPKYSAI-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.57
Rot. Bonds9

About 8-hydroxy-2,11-dimethyldodecan-5-one

8-hydroxy-2,11-dimethyldodecan-5-one (PubChem CID 54387052) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 8-hydroxy-2,11-dimethyldodecan-5-one.

Molecular Properties

Compound Name8-hydroxy-2,11-dimethyldodecan-5-one
PubChem CID54387052
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name8-hydroxy-2,11-dimethyldodecan-5-one
SMILESCC(C)CCC(=O)CCC(O)CCC(C)C
InChIInChI=1S/C14H28O2/c1-11(2)5-7-13(15)9-10-14(16)8-6-12(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyVDZBYPRLPKYSAI-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,8,9-trimethyldecan-5-one
CID 162772851
1-bromo-7-methyloctan-4-one
CID 106798810
2,8-dihydroxynonan-5-one
CID 174799972
1,1,1-trifluoro-6-methylheptan-3-one
CID 62620055
2,8-dimethylnon-1-en-5-one
CID 114473507
6-hydroxy-2,9-dimethyldecan-5-one
CID 44721103
5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one
CID 175146377
2-methyltetradecan-5-one
CID 19931308
2-amino-7-methyloctan-4-one
CID 116555796
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423
2,9-dimethyldecane-4,6-dione
CID 152780076
7-methyl-1-methylsulfonyloctan-4-one
CID 63192440

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,11-dimethyldodecan-5-one?
The IUPAC name of 8-hydroxy-2,11-dimethyldodecan-5-one (CID 54387052) is 8-hydroxy-2,11-dimethyldodecan-5-one.
What is the SMILES notation for 8-hydroxy-2,11-dimethyldodecan-5-one?
The canonical SMILES for 8-hydroxy-2,11-dimethyldodecan-5-one is CC(C)CCC(=O)CCC(O)CCC(C)C.
What is the InChIKey of 8-hydroxy-2,11-dimethyldodecan-5-one?
The InChIKey is VDZBYPRLPKYSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)5-7-13(15)9-10-14(16)8-6-12(3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 8-hydroxy-2,11-dimethyldodecan-5-one?
8-hydroxy-2,11-dimethyldodecan-5-one has a molecular weight of 228.38 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,11-dimethyldodecan-5-one is sourced from PubChem (CID 54387052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).