3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol

C10H20O3 — CID 130488152

IUPAC3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol
SMILESCOC(C)(C)C(C)(O)C1CCOC1
InChIInChI=1S/C10H20O3/c1-9(2,12-4)10(3,11)8-5-6-13-7-8/h8,11H,5-7H2,1-4H3
InChIKeyHLBAGUNCQCOPNW-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.20
Rot. Bonds3

About 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol

3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol (PubChem CID 130488152) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol
PubChem CID130488152
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol
SMILESCOC(C)(C)C(C)(O)C1CCOC1
InChIInChI=1S/C10H20O3/c1-9(2,12-4)10(3,11)8-5-6-13-7-8/h8,11H,5-7H2,1-4H3
InChIKeyHLBAGUNCQCOPNW-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103035277
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CID 131113950
1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine
CID 66999978
1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol
CID 106679767
2-methoxy-2-(oxolan-3-yl)butanenitrile
CID 130503621
2-methoxy-2-(oxan-3-yl)propanoic acid
CID 105443022
1-(2-methoxy-3,4-dimethylphenyl)-1-(oxolan-3-yl)ethanol
CID 103432714
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol
CID 63563407
2-methoxy-2-(oxan-3-yl)propanamide
CID 177167479
N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
CID 122240134

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol (CID 130488152) is 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol is COC(C)(C)C(C)(O)C1CCOC1.
What is the InChIKey of 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol?
The InChIKey is HLBAGUNCQCOPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2,12-4)10(3,11)8-5-6-13-7-8/h8,11H,5-7H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol?
3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol is sourced from PubChem (CID 130488152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).