5,5,7,7-tetramethylnonan-3-ol

C13H28O — CID 91489156

IUPAC5,5,7,7-tetramethylnonan-3-ol
SMILESCCC(O)CC(C)(C)CC(C)(C)CC
InChIInChI=1S/C13H28O/c1-7-11(14)9-13(5,6)10-12(3,4)8-2/h11,14H,7-10H2,1-6H3
InChIKeyXTPMWJCDHJVVLI-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds6

About 5,5,7,7-tetramethylnonan-3-ol

5,5,7,7-tetramethylnonan-3-ol (PubChem CID 91489156) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 5,5,7,7-tetramethylnonan-3-ol.

Molecular Properties

Compound Name5,5,7,7-tetramethylnonan-3-ol
PubChem CID91489156
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name5,5,7,7-tetramethylnonan-3-ol
SMILESCCC(O)CC(C)(C)CC(C)(C)CC
InChIInChI=1S/C13H28O/c1-7-11(14)9-13(5,6)10-12(3,4)8-2/h11,14H,7-10H2,1-6H3
InChIKeyXTPMWJCDHJVVLI-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-hydroxy-4,4-dimethylhexoxy)-5-methylheptan-3-ol
CID 134416227
ethane;1,1,1-trifluoropentan-3-ol
CID 170602798
5-hydroxy-3,3-dimethylheptanoic acid
CID 18717526
5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol
CID 54376385
pentane-1,1,1,3-tetrol
CID 176711420
pentan-3-ol
CID 11428
2-fluoro-2,4,4-trimethylhexane
CID 155702638
1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
5,5,6,6,6-pentafluorohexan-3-ol
CID 154388893
(3R,9S)-6,6-dimethylundecane-3,9-diol
CID 89346944
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994

Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethylnonan-3-ol?
The IUPAC name of 5,5,7,7-tetramethylnonan-3-ol (CID 91489156) is 5,5,7,7-tetramethylnonan-3-ol.
What is the SMILES notation for 5,5,7,7-tetramethylnonan-3-ol?
The canonical SMILES for 5,5,7,7-tetramethylnonan-3-ol is CCC(O)CC(C)(C)CC(C)(C)CC.
What is the InChIKey of 5,5,7,7-tetramethylnonan-3-ol?
The InChIKey is XTPMWJCDHJVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-7-11(14)9-13(5,6)10-12(3,4)8-2/h11,14H,7-10H2,1-6H3.
What are the key properties of 5,5,7,7-tetramethylnonan-3-ol?
5,5,7,7-tetramethylnonan-3-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethylnonan-3-ol is sourced from PubChem (CID 91489156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).