3-methoxy-3,5-dimethylhexan-2-ol

C9H20O2 — CID 151114021

IUPAC3-methoxy-3,5-dimethylhexan-2-ol
SMILESCOC(C)(CC(C)C)C(C)O
InChIInChI=1S/C9H20O2/c1-7(2)6-9(4,11-5)8(3)10/h7-8,10H,6H2,1-5H3
InChIKeyMQTQMZVAMLWRKP-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds4

About 3-methoxy-3,5-dimethylhexan-2-ol

3-methoxy-3,5-dimethylhexan-2-ol (PubChem CID 151114021) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-methoxy-3,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name3-methoxy-3,5-dimethylhexan-2-ol
PubChem CID151114021
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-methoxy-3,5-dimethylhexan-2-ol
SMILESCOC(C)(CC(C)C)C(C)O
InChIInChI=1S/C9H20O2/c1-7(2)6-9(4,11-5)8(3)10/h7-8,10H,6H2,1-5H3
InChIKeyMQTQMZVAMLWRKP-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2,4-dimethylpentane-1,1-diol
CID 142039532
5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol
CID 123584128
1,1-dimethoxy-3-methylbutan-1-ol
CID 11435025
3,3-dimethoxy-2,5-dimethylhexane
CID 130439483
3,5-dimethyl-3-propylhexan-2-ol
CID 20501854
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
4-ethyl-4-methoxy-2,6-dimethylheptane
CID 141423209
3-tert-butyl-3,5-dimethylhexane-2,2-diol
CID 89484377
4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol
CID 88610757
3-methoxy-3-methylpentan-2-amine
CID 116757359
2-methylpropan-1-ol;2,2,4-trimethylpentane-1,1-diol
CID 172688938

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3,5-dimethylhexan-2-ol?
The IUPAC name of 3-methoxy-3,5-dimethylhexan-2-ol (CID 151114021) is 3-methoxy-3,5-dimethylhexan-2-ol.
What is the SMILES notation for 3-methoxy-3,5-dimethylhexan-2-ol?
The canonical SMILES for 3-methoxy-3,5-dimethylhexan-2-ol is COC(C)(CC(C)C)C(C)O.
What is the InChIKey of 3-methoxy-3,5-dimethylhexan-2-ol?
The InChIKey is MQTQMZVAMLWRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-7(2)6-9(4,11-5)8(3)10/h7-8,10H,6H2,1-5H3.
What are the key properties of 3-methoxy-3,5-dimethylhexan-2-ol?
3-methoxy-3,5-dimethylhexan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,5-dimethylhexan-2-ol is sourced from PubChem (CID 151114021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).