4-methoxy-2-methylhexan-3-ol

C8H18O2 — CID 116710715

IUPAC4-methoxy-2-methylhexan-3-ol
SMILESCCC(OC)C(O)C(C)C
InChIInChI=1S/C8H18O2/c1-5-7(10-4)8(9)6(2)3/h6-9H,5H2,1-4H3
InChIKeyRPYRRXBYMMYIDA-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.43
Rot. Bonds4

About 4-methoxy-2-methylhexan-3-ol

4-methoxy-2-methylhexan-3-ol (PubChem CID 116710715) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-methoxy-2-methylhexan-3-ol.

Molecular Properties

Compound Name4-methoxy-2-methylhexan-3-ol
PubChem CID116710715
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name4-methoxy-2-methylhexan-3-ol
SMILESCCC(OC)C(O)C(C)C
InChIInChI=1S/C8H18O2/c1-5-7(10-4)8(9)6(2)3/h6-9H,5H2,1-4H3
InChIKeyRPYRRXBYMMYIDA-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-methylheptan-3-ol
CID 116711593
(3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol
CID 126723997
3-methoxyheptan-4-ol
CID 54045994
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
2-amino-4-methoxy-2-methylhexan-3-ol
CID 131223231
2-hydroxy-3-methoxypentanamide
CID 131162764
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane
CID 159479339
(1R)-1-methoxy-2-methylbutan-1-ol
CID 88580756
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861
3-(2-hydroxypentan-3-yloxy)pentan-2-ol
CID 138539314
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylhexan-3-ol?
The IUPAC name of 4-methoxy-2-methylhexan-3-ol (CID 116710715) is 4-methoxy-2-methylhexan-3-ol.
What is the SMILES notation for 4-methoxy-2-methylhexan-3-ol?
The canonical SMILES for 4-methoxy-2-methylhexan-3-ol is CCC(OC)C(O)C(C)C.
What is the InChIKey of 4-methoxy-2-methylhexan-3-ol?
The InChIKey is RPYRRXBYMMYIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-7(10-4)8(9)6(2)3/h6-9H,5H2,1-4H3.
What are the key properties of 4-methoxy-2-methylhexan-3-ol?
4-methoxy-2-methylhexan-3-ol has a molecular weight of 146.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylhexan-3-ol is sourced from PubChem (CID 116710715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).