3-propan-2-yloxan-4-ol

C8H16O2 — CID 106471202

IUPAC3-propan-2-yloxan-4-ol
SMILESCC(C)C1COCCC1O
InChIInChI=1S/C8H16O2/c1-6(2)7-5-10-4-3-8(7)9/h6-9H,3-5H2,1-2H3
InChIKeyFVFZIVCGKMRKEW-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.04
Rot. Bonds1

About 3-propan-2-yloxan-4-ol

3-propan-2-yloxan-4-ol (PubChem CID 106471202) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name3-propan-2-yloxan-4-ol
PubChem CID106471202
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-propan-2-yloxan-4-ol
SMILESCC(C)C1COCCC1O
InChIInChI=1S/C8H16O2/c1-6(2)7-5-10-4-3-8(7)9/h6-9H,3-5H2,1-2H3
InChIKeyFVFZIVCGKMRKEW-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxan-4-ol?
The IUPAC name of 3-propan-2-yloxan-4-ol (CID 106471202) is 3-propan-2-yloxan-4-ol.
What is the SMILES notation for 3-propan-2-yloxan-4-ol?
The canonical SMILES for 3-propan-2-yloxan-4-ol is CC(C)C1COCCC1O.
What is the InChIKey of 3-propan-2-yloxan-4-ol?
The InChIKey is FVFZIVCGKMRKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)7-5-10-4-3-8(7)9/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yloxan-4-ol?
3-propan-2-yloxan-4-ol has a molecular weight of 144.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxan-4-ol is sourced from PubChem (CID 106471202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).