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

C8H16O2 — CID 129379798

IUPAC(2S)-2-(oxan-4-yl)propan-1-ol
SMILESC[C@H](CO)C1CCOCC1
InChIInChI=1S/C8H16O2/c1-7(6-9)8-2-4-10-5-3-8/h7-9H,2-6H2,1H3/t7-/m1/s1
InChIKeyUHPCGDMDBFXQQY-SSDOTTSWSA-N
MW144.21 g/mol
LogP1.04
Rot. Bonds2

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

(2S)-2-(oxan-4-yl)propan-1-ol (PubChem CID 129379798) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S)-2-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(oxan-4-yl)propan-1-ol
PubChem CID129379798
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S)-2-(oxan-4-yl)propan-1-ol
SMILESC[C@H](CO)C1CCOCC1
InChIInChI=1S/C8H16O2/c1-7(6-9)8-2-4-10-5-3-8/h7-9H,2-6H2,1H3/t7-/m1/s1
InChIKeyUHPCGDMDBFXQQY-SSDOTTSWSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxan-4-yl)propan-1-ol?
The IUPAC name of (2S)-2-(oxan-4-yl)propan-1-ol (CID 129379798) is (2S)-2-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-(oxan-4-yl)propan-1-ol?
The canonical SMILES for (2S)-2-(oxan-4-yl)propan-1-ol is C[C@H](CO)C1CCOCC1.
What is the InChIKey of (2S)-2-(oxan-4-yl)propan-1-ol?
The InChIKey is UHPCGDMDBFXQQY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(6-9)8-2-4-10-5-3-8/h7-9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-2-(oxan-4-yl)propan-1-ol?
(2S)-2-(oxan-4-yl)propan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 129379798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).