(3S)-4-methoxy-5-methylhexan-3-ol

C8H18O2 — CID 59039386

IUPAC(3S)-4-methoxy-5-methylhexan-3-ol
SMILESCC[C@H](O)C(OC)C(C)C
InChIInChI=1S/C8H18O2/c1-5-7(9)8(10-4)6(2)3/h6-9H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyALBCFPDXHSICMI-JAMMHHFISA-N
MW146.23 g/mol
LogP1.43
Rot. Bonds4

About (3S)-4-methoxy-5-methylhexan-3-ol

(3S)-4-methoxy-5-methylhexan-3-ol (PubChem CID 59039386) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (3S)-4-methoxy-5-methylhexan-3-ol.

Molecular Properties

Compound Name(3S)-4-methoxy-5-methylhexan-3-ol
PubChem CID59039386
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(3S)-4-methoxy-5-methylhexan-3-ol
SMILESCC[C@H](O)C(OC)C(C)C
InChIInChI=1S/C8H18O2/c1-5-7(9)8(10-4)6(2)3/h6-9H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyALBCFPDXHSICMI-JAMMHHFISA-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

3-((2-Ethylhexyl)oxy)-1,2-propanediol
CID 9859093
2,5-Dimethylhexan-3-ol
CID 89183
Ethanol, 2-(2-(1-isobutyl-3-methylbutoxy)ethoxy)-
CID 45951
3-(3-Methylbutoxy)-1,2-propanediol
CID 95650
1-Pentanol, 2-(isopentyloxy)-4-methyl-
CID 111999
1-Methoxy-3-methylbutan-2-ol
CID 61553086
4-Methyl-2,3-pentanediol
CID 552109
2,5-Dimethyl-3,4-hexanediol
CID 552199
(3R,4R)-1,2-Diisopropylethanediol
CID 10796884
Propanol, 2-ethylbutoxy-, mixed isomers
CID 113757
2-Methoxy-3-methylbutan-1-ol
CID 13896532
2-Methoxy-3-methylpentan-1-ol
CID 14069953

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methoxy-5-methylhexan-3-ol?
The IUPAC name of (3S)-4-methoxy-5-methylhexan-3-ol (CID 59039386) is (3S)-4-methoxy-5-methylhexan-3-ol.
What is the SMILES notation for (3S)-4-methoxy-5-methylhexan-3-ol?
The canonical SMILES for (3S)-4-methoxy-5-methylhexan-3-ol is CC[C@H](O)C(OC)C(C)C.
What is the InChIKey of (3S)-4-methoxy-5-methylhexan-3-ol?
The InChIKey is ALBCFPDXHSICMI-JAMMHHFISA-N. The full InChI is InChI=1S/C8H18O2/c1-5-7(9)8(10-4)6(2)3/h6-9H,5H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of (3S)-4-methoxy-5-methylhexan-3-ol?
(3S)-4-methoxy-5-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 (3S)-4-methoxy-5-methylhexan-3-ol is sourced from PubChem (CID 59039386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).