1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one

C16H32O3 — CID 11208035

IUPAC1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one
SMILESCC(C)(CO)CCCCC(=O)CCCC(C)(C)CO
InChIInChI=1S/C16H32O3/c1-15(2,12-17)10-6-5-8-14(19)9-7-11-16(3,4)13-18/h17-18H,5-13H2,1-4H3
InChIKeyGWQVYNNGCSWRRC-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.32
Rot. Bonds11

About 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one

1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one (PubChem CID 11208035) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one.

Molecular Properties

Compound Name1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one
PubChem CID11208035
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one
SMILESCC(C)(CO)CCCCC(=O)CCCC(C)(C)CO
InChIInChI=1S/C16H32O3/c1-15(2,12-17)10-6-5-8-14(19)9-7-11-16(3,4)13-18/h17-18H,5-13H2,1-4H3
InChIKeyGWQVYNNGCSWRRC-UHFFFAOYSA-N
XLogP3.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one?
The IUPAC name of 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one (CID 11208035) is 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one.
What is the SMILES notation for 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one?
The canonical SMILES for 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one is CC(C)(CO)CCCCC(=O)CCCC(C)(C)CO.
What is the InChIKey of 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one?
The InChIKey is GWQVYNNGCSWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-15(2,12-17)10-6-5-8-14(19)9-7-11-16(3,4)13-18/h17-18H,5-13H2,1-4H3.
What are the key properties of 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one?
1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one has a molecular weight of 272.43 g/mol, XLogP of 3.32, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-dihydroxy-2,2,11,11-tetramethyldodecan-6-one is sourced from PubChem (CID 11208035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).