methanol;5-methoxyhexan-3-ol

C8H20O3 — CID 171659791

IUPACmethanol;5-methoxyhexan-3-ol
SMILESCCC(O)CC(C)OC.CO
InChIInChI=1S/C7H16O2.CH4O/c1-4-7(8)5-6(2)9-3;1-2/h6-8H,4-5H2,1-3H3;2H,1H3
InChIKeyOPXYDDHARXXULN-UHFFFAOYSA-N
MW164.24 g/mol
LogP0.79
Rot. Bonds4

About methanol;5-methoxyhexan-3-ol

methanol;5-methoxyhexan-3-ol (PubChem CID 171659791) has the molecular formula C8H20O3 and a molecular weight of 164.24 g/mol. Its IUPAC name is methanol;5-methoxyhexan-3-ol.

Molecular Properties

Compound Namemethanol;5-methoxyhexan-3-ol
PubChem CID171659791
Molecular FormulaC8H20O3
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Namemethanol;5-methoxyhexan-3-ol
SMILESCCC(O)CC(C)OC.CO
InChIInChI=1S/C7H16O2.CH4O/c1-4-7(8)5-6(2)9-3;1-2/h6-8H,4-5H2,1-3H3;2H,1H3
InChIKeyOPXYDDHARXXULN-UHFFFAOYSA-N
XLogP0.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-4-methoxypentan-2-ol
CID 59003340
8-methoxynonan-3-ol
CID 140998506
(3R,5R)-heptane-3,5-diol
CID 12641368
2-methoxybutane;1-methoxybutan-2-ol;methoxyethane
CID 158419492
2-methoxynon-7-yn-4-ol
CID 104804259
methane;2-methoxybutane
CID 162124465
carbanide;hexane-2,4-diol;yttrium
CID 59749638
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
(2R,3S)-2-methoxypentan-3-ol
CID 13427568
(3R,5S)-5-sulfanylhexan-3-ol
CID 101345541
pentan-3-ol
CID 11428
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921

Frequently Asked Questions

What is the IUPAC name of methanol;5-methoxyhexan-3-ol?
The IUPAC name of methanol;5-methoxyhexan-3-ol (CID 171659791) is methanol;5-methoxyhexan-3-ol.
What is the SMILES notation for methanol;5-methoxyhexan-3-ol?
The canonical SMILES for methanol;5-methoxyhexan-3-ol is CCC(O)CC(C)OC.CO.
What is the InChIKey of methanol;5-methoxyhexan-3-ol?
The InChIKey is OPXYDDHARXXULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.CH4O/c1-4-7(8)5-6(2)9-3;1-2/h6-8H,4-5H2,1-3H3;2H,1H3.
What are the key properties of methanol;5-methoxyhexan-3-ol?
methanol;5-methoxyhexan-3-ol has a molecular weight of 164.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;5-methoxyhexan-3-ol is sourced from PubChem (CID 171659791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).