4-methoxy-2,5,5-trimethylhexan-3-ol

C10H22O2 — CID 116713037

IUPAC4-methoxy-2,5,5-trimethylhexan-3-ol
SMILESCOC(C(O)C(C)C)C(C)(C)C
InChIInChI=1S/C10H22O2/c1-7(2)8(11)9(12-6)10(3,4)5/h7-9,11H,1-6H3
InChIKeyYORFTKBGOBXOOB-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.06
Rot. Bonds3

About 4-methoxy-2,5,5-trimethylhexan-3-ol

4-methoxy-2,5,5-trimethylhexan-3-ol (PubChem CID 116713037) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-methoxy-2,5,5-trimethylhexan-3-ol.

Molecular Properties

Compound Name4-methoxy-2,5,5-trimethylhexan-3-ol
PubChem CID116713037
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-methoxy-2,5,5-trimethylhexan-3-ol
SMILESCOC(C(O)C(C)C)C(C)(C)C
InChIInChI=1S/C10H22O2/c1-7(2)8(11)9(12-6)10(3,4)5/h7-9,11H,1-6H3
InChIKeyYORFTKBGOBXOOB-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethoxy-3,6,6-trimethylheptan-4-ol
CID 116713153
1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol
CID 116713007
1,3-dimethoxy-4,4-dimethylpentan-2-ol
CID 116713162
(3R,4R)-3-methoxy-2,2,4-trimethylhexane
CID 177079402
4-methoxy-3,3,5-trimethylhexane-1,2-diol
CID 123487939
1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712985
2,2,5-trimethylhexane-3,4-diol
CID 103456431
(3-methoxy-2,2,6-trimethylheptan-4-yl)hydrazine
CID 105273294
(3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol
CID 131853191
4-methoxy-2-methylhexan-3-ol
CID 116710715
1,1,1-trifluoro-2-methoxy-3-methylbutane
CID 59790373
ethane-1,1,1-triol;methoxymethanediol
CID 158946660

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5,5-trimethylhexan-3-ol?
The IUPAC name of 4-methoxy-2,5,5-trimethylhexan-3-ol (CID 116713037) is 4-methoxy-2,5,5-trimethylhexan-3-ol.
What is the SMILES notation for 4-methoxy-2,5,5-trimethylhexan-3-ol?
The canonical SMILES for 4-methoxy-2,5,5-trimethylhexan-3-ol is COC(C(O)C(C)C)C(C)(C)C.
What is the InChIKey of 4-methoxy-2,5,5-trimethylhexan-3-ol?
The InChIKey is YORFTKBGOBXOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-7(2)8(11)9(12-6)10(3,4)5/h7-9,11H,1-6H3.
What are the key properties of 4-methoxy-2,5,5-trimethylhexan-3-ol?
4-methoxy-2,5,5-trimethylhexan-3-ol has a molecular weight of 174.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5,5-trimethylhexan-3-ol is sourced from PubChem (CID 116713037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).