1-(oxolan-3-ylmethoxy)butan-2-ol

C9H18O3 — CID 62040870

IUPAC1-(oxolan-3-ylmethoxy)butan-2-ol
SMILESCCC(O)COCC1CCOC1
InChIInChI=1S/C9H18O3/c1-2-9(10)7-12-6-8-3-4-11-5-8/h8-10H,2-7H2,1H3
InChIKeyINTCGFBZOMZGCS-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.81
Rot. Bonds5

About 1-(oxolan-3-ylmethoxy)butan-2-ol

1-(oxolan-3-ylmethoxy)butan-2-ol (PubChem CID 62040870) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(oxolan-3-ylmethoxy)butan-2-ol
PubChem CID62040870
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-(oxolan-3-ylmethoxy)butan-2-ol
SMILESCCC(O)COCC1CCOC1
InChIInChI=1S/C9H18O3/c1-2-9(10)7-12-6-8-3-4-11-5-8/h8-10H,2-7H2,1H3
InChIKeyINTCGFBZOMZGCS-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
3-[2-(bromomethyl)butoxymethyl]oxolane
CID 64995288
2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
CID 114995904
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
1-cyclopentyl-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749258
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
2-(cyclopentylmethoxy)-1-(oxolan-3-yl)ethanol
CID 104753738
1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939364
1-(2-ethylhexoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039364
2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
CID 66472549
1-aminobutan-2-ol;3-(chloromethyl)oxolane;1-methoxy-3-(methylamino)propan-2-ol;1-(oxolan-3-ylmethoxymethylamino)butan-2-ol
CID 90920063

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethoxy)butan-2-ol?
The IUPAC name of 1-(oxolan-3-ylmethoxy)butan-2-ol (CID 62040870) is 1-(oxolan-3-ylmethoxy)butan-2-ol.
What is the SMILES notation for 1-(oxolan-3-ylmethoxy)butan-2-ol?
The canonical SMILES for 1-(oxolan-3-ylmethoxy)butan-2-ol is CCC(O)COCC1CCOC1.
What is the InChIKey of 1-(oxolan-3-ylmethoxy)butan-2-ol?
The InChIKey is INTCGFBZOMZGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-9(10)7-12-6-8-3-4-11-5-8/h8-10H,2-7H2,1H3.
What are the key properties of 1-(oxolan-3-ylmethoxy)butan-2-ol?
1-(oxolan-3-ylmethoxy)butan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethoxy)butan-2-ol is sourced from PubChem (CID 62040870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).