3-methyl-1-(oxan-4-yl)butane-2,3-diol

C10H20O3 — CID 103448944

IUPAC3-methyl-1-(oxan-4-yl)butane-2,3-diol
SMILESCC(C)(O)C(O)CC1CCOCC1
InChIInChI=1S/C10H20O3/c1-10(2,12)9(11)7-8-3-5-13-6-4-8/h8-9,11-12H,3-7H2,1-2H3
InChIKeyBKZUXWYQPDXWRM-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.93
Rot. Bonds3

About 3-methyl-1-(oxan-4-yl)butane-2,3-diol

3-methyl-1-(oxan-4-yl)butane-2,3-diol (PubChem CID 103448944) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)butane-2,3-diol.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)butane-2,3-diol
PubChem CID103448944
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-methyl-1-(oxan-4-yl)butane-2,3-diol
SMILESCC(C)(O)C(O)CC1CCOCC1
InChIInChI=1S/C10H20O3/c1-10(2,12)9(11)7-8-3-5-13-6-4-8/h8-9,11-12H,3-7H2,1-2H3
InChIKeyBKZUXWYQPDXWRM-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

3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol
CID 79044827
3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
CID 116751875
3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol
CID 63084011
4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
CID 115789666
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
CID 115789647
(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373
1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol
CID 79087400
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450518

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)butane-2,3-diol?
The IUPAC name of 3-methyl-1-(oxan-4-yl)butane-2,3-diol (CID 103448944) is 3-methyl-1-(oxan-4-yl)butane-2,3-diol.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)butane-2,3-diol?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)butane-2,3-diol is CC(C)(O)C(O)CC1CCOCC1.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)butane-2,3-diol?
The InChIKey is BKZUXWYQPDXWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(2,12)9(11)7-8-3-5-13-6-4-8/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)butane-2,3-diol?
3-methyl-1-(oxan-4-yl)butane-2,3-diol 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-methyl-1-(oxan-4-yl)butane-2,3-diol is sourced from PubChem (CID 103448944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).