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

C9H20O2 — CID 21053495

IUPAC5-methoxy-2,5-dimethylhexan-2-ol
SMILESCOC(C)(C)CCC(C)(C)O
InChIInChI=1S/C9H20O2/c1-8(2,10)6-7-9(3,4)11-5/h10H,6-7H2,1-5H3
InChIKeyBGYYIZCSHRHQIA-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.96
Rot. Bonds4

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

5-methoxy-2,5-dimethylhexan-2-ol (PubChem CID 21053495) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 5-methoxy-2,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name5-methoxy-2,5-dimethylhexan-2-ol
PubChem CID21053495
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name5-methoxy-2,5-dimethylhexan-2-ol
SMILESCOC(C)(C)CCC(C)(C)O
InChIInChI=1S/C9H20O2/c1-8(2,10)6-7-9(3,4)11-5/h10H,6-7H2,1-5H3
InChIKeyBGYYIZCSHRHQIA-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethoxy-2,5-dimethylhexane
CID 552009
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
CID 103018825
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221
1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane
CID 103019029
1-iodo-3-methoxy-3-methylbutane
CID 22236489
3-[(3-methoxy-3-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 102977870
2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol
CID 103035237
7-methoxy-7-methyloctan-1-ol
CID 175444354
2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol
CID 103018143
5-methoxy-5-methyl-2-(2-methylphenyl)hexan-2-ol
CID 103035054

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,5-dimethylhexan-2-ol?
The IUPAC name of 5-methoxy-2,5-dimethylhexan-2-ol (CID 21053495) is 5-methoxy-2,5-dimethylhexan-2-ol.
What is the SMILES notation for 5-methoxy-2,5-dimethylhexan-2-ol?
The canonical SMILES for 5-methoxy-2,5-dimethylhexan-2-ol is COC(C)(C)CCC(C)(C)O.
What is the InChIKey of 5-methoxy-2,5-dimethylhexan-2-ol?
The InChIKey is BGYYIZCSHRHQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(2,10)6-7-9(3,4)11-5/h10H,6-7H2,1-5H3.
What are the key properties of 5-methoxy-2,5-dimethylhexan-2-ol?
5-methoxy-2,5-dimethylhexan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,5-dimethylhexan-2-ol is sourced from PubChem (CID 21053495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).