1-(oxolan-2-ylmethoxy)propan-2-ol

C8H16O3 — CID 19833725

IUPAC1-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCC(O)COCC1CCCO1
InChIInChI=1S/C8H16O3/c1-7(9)5-10-6-8-3-2-4-11-8/h7-9H,2-6H2,1H3
InChIKeyQTWDUQBKVPZPMR-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.56
Rot. Bonds4

About 1-(oxolan-2-ylmethoxy)propan-2-ol

1-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 19833725) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID19833725
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCC(O)COCC1CCCO1
InChIInChI=1S/C8H16O3/c1-7(9)5-10-6-8-3-2-4-11-8/h7-9H,2-6H2,1H3
InChIKeyQTWDUQBKVPZPMR-UHFFFAOYSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(oxolan-2-ylmethoxy)propan-2-ol (CID 19833725) is 1-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(oxolan-2-ylmethoxy)propan-2-ol is CC(O)COCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is QTWDUQBKVPZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(9)5-10-6-8-3-2-4-11-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-(oxolan-2-ylmethoxy)propan-2-ol?
1-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 19833725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).