(3R,4R)-2,2,3,4-tetramethylhexan-3-ol

C10H22O — CID 170849873

IUPAC(3R,4R)-2,2,3,4-tetramethylhexan-3-ol
SMILESCC[C@@H](C)[C@@](C)(O)C(C)(C)C
InChIInChI=1S/C10H22O/c1-7-8(2)10(6,11)9(3,4)5/h8,11H,7H2,1-6H3/t8-,10-/m1/s1
InChIKeySAFMWGCEQYLRLS-PSASIEDQSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds2

About (3R,4R)-2,2,3,4-tetramethylhexan-3-ol

(3R,4R)-2,2,3,4-tetramethylhexan-3-ol (PubChem CID 170849873) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (3R,4R)-2,2,3,4-tetramethylhexan-3-ol.

Molecular Properties

Compound Name(3R,4R)-2,2,3,4-tetramethylhexan-3-ol
PubChem CID170849873
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(3R,4R)-2,2,3,4-tetramethylhexan-3-ol
SMILESCC[C@@H](C)[C@@](C)(O)C(C)(C)C
InChIInChI=1S/C10H22O/c1-7-8(2)10(6,11)9(3,4)5/h8,11H,7H2,1-6H3/t8-,10-/m1/s1
InChIKeySAFMWGCEQYLRLS-PSASIEDQSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-trimethylhexane-2,3-diol
CID 12714107
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2,4,4,5-tetramethylheptan-2-ol
CID 123728080
3,4,5,6-tetramethyloctan-4-ol
CID 121007351
1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
4,6-di(butan-2-yl)-5-ethyl-3,7-dimethylnonane-4,6-diol
CID 175564965
2,4-dimethyl-3-propylhexane-2,3-diol
CID 69305500
1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol
CID 89097736
4-methyl-2-sulfanylhexane-3,3-diol
CID 88516020
2,3-dimethylpentane-2-thiol
CID 90985123
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
3-(aminomethyl)-4,5-dimethylheptan-4-ol
CID 79134739

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,2,3,4-tetramethylhexan-3-ol?
The IUPAC name of (3R,4R)-2,2,3,4-tetramethylhexan-3-ol (CID 170849873) is (3R,4R)-2,2,3,4-tetramethylhexan-3-ol.
What is the SMILES notation for (3R,4R)-2,2,3,4-tetramethylhexan-3-ol?
The canonical SMILES for (3R,4R)-2,2,3,4-tetramethylhexan-3-ol is CC[C@@H](C)[C@@](C)(O)C(C)(C)C.
What is the InChIKey of (3R,4R)-2,2,3,4-tetramethylhexan-3-ol?
The InChIKey is SAFMWGCEQYLRLS-PSASIEDQSA-N. The full InChI is InChI=1S/C10H22O/c1-7-8(2)10(6,11)9(3,4)5/h8,11H,7H2,1-6H3/t8-,10-/m1/s1.
What are the key properties of (3R,4R)-2,2,3,4-tetramethylhexan-3-ol?
(3R,4R)-2,2,3,4-tetramethylhexan-3-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2,3,4-tetramethylhexan-3-ol is sourced from PubChem (CID 170849873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).