2,6,6-trimethylheptan-3-ol

C10H22O — CID 20577986

IUPAC2,6,6-trimethylheptan-3-ol
SMILESCC(C)C(O)CCC(C)(C)C
InChIInChI=1S/C10H22O/c1-8(2)9(11)6-7-10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyKBZAMMXKPRJXFO-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds3

About 2,6,6-trimethylheptan-3-ol

2,6,6-trimethylheptan-3-ol (PubChem CID 20577986) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2,6,6-trimethylheptan-3-ol.

Molecular Properties

Compound Name2,6,6-trimethylheptan-3-ol
PubChem CID20577986
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2,6,6-trimethylheptan-3-ol
SMILESCC(C)C(O)CCC(C)(C)C
InChIInChI=1S/C10H22O/c1-8(2)9(11)6-7-10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyKBZAMMXKPRJXFO-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

2,2,3,7,7-pentamethyloctan-4-ol
CID 156689704
6-fluoro-2,6,7-trimethyloctan-3-ol
CID 90442290
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136
2,2,8,8-tetramethylnonan-5-ol
CID 19931306
2,5,5-trimethylhexan-1-ol
CID 3020914
4,7,7-trimethyloctan-3-ol
CID 63562017
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865
2,7,7-trimethylnonan-3-ol
CID 162360269
methane;2,2,6-trimethyl-5-propan-2-ylheptane
CID 160668864
1-amino-4,4-dimethylpentan-1-ol
CID 88636806
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethylheptan-3-ol?
The IUPAC name of 2,6,6-trimethylheptan-3-ol (CID 20577986) is 2,6,6-trimethylheptan-3-ol.
What is the SMILES notation for 2,6,6-trimethylheptan-3-ol?
The canonical SMILES for 2,6,6-trimethylheptan-3-ol is CC(C)C(O)CCC(C)(C)C.
What is the InChIKey of 2,6,6-trimethylheptan-3-ol?
The InChIKey is KBZAMMXKPRJXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-8(2)9(11)6-7-10(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 2,6,6-trimethylheptan-3-ol?
2,6,6-trimethylheptan-3-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylheptan-3-ol is sourced from PubChem (CID 20577986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).