1-(oxan-4-yl)propan-2-ol

C8H16O2 — CID 56828815

IUPAC1-(oxan-4-yl)propan-2-ol
SMILESCC(O)CC1CCOCC1
InChIInChI=1S/C8H16O2/c1-7(9)6-8-2-4-10-5-3-8/h7-9H,2-6H2,1H3
InChIKeyDIVIBFPECAKLKH-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds2

About 1-(oxan-4-yl)propan-2-ol

1-(oxan-4-yl)propan-2-ol (PubChem CID 56828815) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-(oxan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(oxan-4-yl)propan-2-ol
PubChem CID56828815
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-(oxan-4-yl)propan-2-ol
SMILESCC(O)CC1CCOCC1
InChIInChI=1S/C8H16O2/c1-7(9)6-8-2-4-10-5-3-8/h7-9H,2-6H2,1H3
InChIKeyDIVIBFPECAKLKH-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)propan-2-ol?
The IUPAC name of 1-(oxan-4-yl)propan-2-ol (CID 56828815) is 1-(oxan-4-yl)propan-2-ol.
What is the SMILES notation for 1-(oxan-4-yl)propan-2-ol?
The canonical SMILES for 1-(oxan-4-yl)propan-2-ol is CC(O)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)propan-2-ol?
The InChIKey is DIVIBFPECAKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(9)6-8-2-4-10-5-3-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-(oxan-4-yl)propan-2-ol?
1-(oxan-4-yl)propan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)propan-2-ol is sourced from PubChem (CID 56828815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).