3-(2-hydroxy-2-methylbutyl)oxan-4-ol

C10H20O3 — CID 106471090

IUPAC3-(2-hydroxy-2-methylbutyl)oxan-4-ol
SMILESCCC(C)(O)CC1COCCC1O
InChIInChI=1S/C10H20O3/c1-3-10(2,12)6-8-7-13-5-4-9(8)11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyHWIDINFSAZXSMM-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.93
Rot. Bonds3

About 3-(2-hydroxy-2-methylbutyl)oxan-4-ol

3-(2-hydroxy-2-methylbutyl)oxan-4-ol (PubChem CID 106471090) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylbutyl)oxan-4-ol.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylbutyl)oxan-4-ol
PubChem CID106471090
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-(2-hydroxy-2-methylbutyl)oxan-4-ol
SMILESCCC(C)(O)CC1COCCC1O
InChIInChI=1S/C10H20O3/c1-3-10(2,12)6-8-7-13-5-4-9(8)11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyHWIDINFSAZXSMM-UHFFFAOYSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
3-[(dipropylamino)methyl]oxan-4-ol
CID 103061158
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
3-(3-methoxy-3-methylbutyl)oxan-4-ol
CID 106471274
3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol
CID 103061455
3-[(4-tert-butylphenyl)methyl]oxan-4-ol
CID 106471360
3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
3-(3-hydroxy-2-methylpropyl)oxan-4-ol
CID 106471163
3-(oxolan-3-ylmethyl)pentan-3-ol
CID 14783553
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061324
3-pent-3-ynyloxan-4-ol
CID 106471270

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylbutyl)oxan-4-ol?
The IUPAC name of 3-(2-hydroxy-2-methylbutyl)oxan-4-ol (CID 106471090) is 3-(2-hydroxy-2-methylbutyl)oxan-4-ol.
What is the SMILES notation for 3-(2-hydroxy-2-methylbutyl)oxan-4-ol?
The canonical SMILES for 3-(2-hydroxy-2-methylbutyl)oxan-4-ol is CCC(C)(O)CC1COCCC1O.
What is the InChIKey of 3-(2-hydroxy-2-methylbutyl)oxan-4-ol?
The InChIKey is HWIDINFSAZXSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-10(2,12)6-8-7-13-5-4-9(8)11/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 3-(2-hydroxy-2-methylbutyl)oxan-4-ol?
3-(2-hydroxy-2-methylbutyl)oxan-4-ol has a molecular weight of 188.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylbutyl)oxan-4-ol is sourced from PubChem (CID 106471090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).