1-(oxan-4-ylmethoxy)butan-2-ol

C10H20O3 — CID 62383429

IUPAC1-(oxan-4-ylmethoxy)butan-2-ol
SMILESCCC(O)COCC1CCOCC1
InChIInChI=1S/C10H20O3/c1-2-10(11)8-13-7-9-3-5-12-6-4-9/h9-11H,2-8H2,1H3
InChIKeyMMYPNHFIJDLMAX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.20
Rot. Bonds5

About 1-(oxan-4-ylmethoxy)butan-2-ol

1-(oxan-4-ylmethoxy)butan-2-ol (PubChem CID 62383429) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(oxan-4-ylmethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(oxan-4-ylmethoxy)butan-2-ol
PubChem CID62383429
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-(oxan-4-ylmethoxy)butan-2-ol
SMILESCCC(O)COCC1CCOCC1
InChIInChI=1S/C10H20O3/c1-2-10(11)8-13-7-9-3-5-12-6-4-9/h9-11H,2-8H2,1H3
InChIKeyMMYPNHFIJDLMAX-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethoxy)butan-2-ol?
The IUPAC name of 1-(oxan-4-ylmethoxy)butan-2-ol (CID 62383429) is 1-(oxan-4-ylmethoxy)butan-2-ol.
What is the SMILES notation for 1-(oxan-4-ylmethoxy)butan-2-ol?
The canonical SMILES for 1-(oxan-4-ylmethoxy)butan-2-ol is CCC(O)COCC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethoxy)butan-2-ol?
The InChIKey is MMYPNHFIJDLMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-2-10(11)8-13-7-9-3-5-12-6-4-9/h9-11H,2-8H2,1H3.
What are the key properties of 1-(oxan-4-ylmethoxy)butan-2-ol?
1-(oxan-4-ylmethoxy)butan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethoxy)butan-2-ol is sourced from PubChem (CID 62383429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).