2,2,6,6-tetramethylheptane-3,4,5-triol

C11H24O3 — CID 18916262

IUPAC2,2,6,6-tetramethylheptane-3,4,5-triol
SMILESCC(C)(C)C(O)C(O)C(O)C(C)(C)C
InChIInChI=1S/C11H24O3/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h7-9,12-14H,1-6H3
InChIKeyHDXAQJALAKVYTG-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.16
Rot. Bonds2

About 2,2,6,6-tetramethylheptane-3,4,5-triol

2,2,6,6-tetramethylheptane-3,4,5-triol (PubChem CID 18916262) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2,2,6,6-tetramethylheptane-3,4,5-triol.

Molecular Properties

Compound Name2,2,6,6-tetramethylheptane-3,4,5-triol
PubChem CID18916262
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name2,2,6,6-tetramethylheptane-3,4,5-triol
SMILESCC(C)(C)C(O)C(O)C(O)C(C)(C)C
InChIInChI=1S/C11H24O3/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h7-9,12-14H,1-6H3
InChIKeyHDXAQJALAKVYTG-UHFFFAOYSA-N
XLogP1.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5-trimethylhexane-3,4-diol
CID 103456431
(3S,4S,6S)-7,7-dimethyloctane-1,3,4,5,6-pentol
CID 89370097
[(2R,3R,4S,5R)-2,4,5-trihydroxy-6,6-dimethylheptan-3-yl] 2-methylpropanoate
CID 88926790
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
CID 10909859
4-amino-2,2-dimethylhexan-3-ol
CID 12801394
(3S,4R)-2,2,4-trimethylhex-5-en-3-ol
CID 11182665
(2S)-1,1-difluoro-3,3-dimethylbutan-2-ol;(3R)-4-fluoro-2,2-dimethylpentan-3-ol
CID 167671354
1-(dimethylamino)-4,4-dimethylpentane-2,3-diol
CID 58223266
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3,3-dimethylbutan-2-ol
CID 171161092
(4S,5S)-5-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylheptan-3-one
CID 134905198
(3R,4R)-1,3,4-trihydroxy-5,5-dimethylhexan-2-one
CID 101111956

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylheptane-3,4,5-triol?
The IUPAC name of 2,2,6,6-tetramethylheptane-3,4,5-triol (CID 18916262) is 2,2,6,6-tetramethylheptane-3,4,5-triol.
What is the SMILES notation for 2,2,6,6-tetramethylheptane-3,4,5-triol?
The canonical SMILES for 2,2,6,6-tetramethylheptane-3,4,5-triol is CC(C)(C)C(O)C(O)C(O)C(C)(C)C.
What is the InChIKey of 2,2,6,6-tetramethylheptane-3,4,5-triol?
The InChIKey is HDXAQJALAKVYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h7-9,12-14H,1-6H3.
What are the key properties of 2,2,6,6-tetramethylheptane-3,4,5-triol?
2,2,6,6-tetramethylheptane-3,4,5-triol has a molecular weight of 204.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylheptane-3,4,5-triol is sourced from PubChem (CID 18916262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).