2,2,4,4-tetramethylhexan-3-ol

C10H22O — CID 53428650

IUPAC2,2,4,4-tetramethylhexan-3-ol
SMILESCCC(C)(C)C(O)C(C)(C)C
InChIInChI=1S/C10H22O/c1-7-10(5,6)8(11)9(2,3)4/h8,11H,7H2,1-6H3
InChIKeyLKAPNEGVXBMYKE-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds2

About 2,2,4,4-tetramethylhexan-3-ol

2,2,4,4-tetramethylhexan-3-ol (PubChem CID 53428650) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2,2,4,4-tetramethylhexan-3-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethylhexan-3-ol
PubChem CID53428650
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2,2,4,4-tetramethylhexan-3-ol
SMILESCCC(C)(C)C(O)C(C)(C)C
InChIInChI=1S/C10H22O/c1-7-10(5,6)8(11)9(2,3)4/h8,11H,7H2,1-6H3
InChIKeyLKAPNEGVXBMYKE-UHFFFAOYSA-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

4-Methyl-3-heptanol
CID 26989
2,2-Dimethyl-3-pentanol
CID 19871
4-Methylhexan-3-ol
CID 11991
2,4-Dimethylhexan-3-ol
CID 98257
2,2-Dimethylhexan-3-ol
CID 98265
3-Hexanol, 4-ethyl-
CID 140585
2,5-Dimethylhexan-3-ol
CID 89183
3,4-Dimethyl-2-hexanol
CID 140547
5-Methylheptan-3-ol
CID 86782
3-Methylheptan-4-ol
CID 102700
4,4-Dimethylpentan-2-ol
CID 110789
2,2-Dimethyl-3-heptanol
CID 140543

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylhexan-3-ol?
The IUPAC name of 2,2,4,4-tetramethylhexan-3-ol (CID 53428650) is 2,2,4,4-tetramethylhexan-3-ol.
What is the SMILES notation for 2,2,4,4-tetramethylhexan-3-ol?
The canonical SMILES for 2,2,4,4-tetramethylhexan-3-ol is CCC(C)(C)C(O)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethylhexan-3-ol?
The InChIKey is LKAPNEGVXBMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-7-10(5,6)8(11)9(2,3)4/h8,11H,7H2,1-6H3.
What are the key properties of 2,2,4,4-tetramethylhexan-3-ol?
2,2,4,4-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 2,2,4,4-tetramethylhexan-3-ol is sourced from PubChem (CID 53428650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).