(2S)-2-[(2R)-oxan-2-yl]propan-1-ol

C8H16O2 — CID 102227489

IUPAC(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
SMILESC[C@@H](CO)[C@H]1CCCCO1
InChIInChI=1S/C8H16O2/c1-7(6-9)8-4-2-3-5-10-8/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyIDPHCOUJGUYMCZ-JGVFFNPUSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds2

About (2S)-2-[(2R)-oxan-2-yl]propan-1-ol

(2S)-2-[(2R)-oxan-2-yl]propan-1-ol (PubChem CID 102227489) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S)-2-[(2R)-oxan-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
PubChem CID102227489
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
SMILESC[C@@H](CO)[C@H]1CCCCO1
InChIInChI=1S/C8H16O2/c1-7(6-9)8-4-2-3-5-10-8/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyIDPHCOUJGUYMCZ-JGVFFNPUSA-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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Related Compounds

(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
N-[1,3-bis(oxan-2-yl)butyl]-1,3-bis(oxan-2-yl)butan-1-amine
CID 173131029
2-heptan-2-yloxane
CID 67835602
magnesium;2-pentan-2-yloxane;chloride
CID 163490029
2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol
CID 139940126
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
3-(oxolan-2-yl)butanoic acid
CID 3727496
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005
bis(oxan-2-yl)methanol
CID 173021788
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
1-(oxan-2-yl)propane-1,3-diol
CID 57060644

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-oxan-2-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(2R)-oxan-2-yl]propan-1-ol (CID 102227489) is (2S)-2-[(2R)-oxan-2-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2R)-oxan-2-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(2R)-oxan-2-yl]propan-1-ol is C[C@@H](CO)[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-[(2R)-oxan-2-yl]propan-1-ol?
The InChIKey is IDPHCOUJGUYMCZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(6-9)8-4-2-3-5-10-8/h7-9H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (2S)-2-[(2R)-oxan-2-yl]propan-1-ol?
(2S)-2-[(2R)-oxan-2-yl]propan-1-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 (2S)-2-[(2R)-oxan-2-yl]propan-1-ol is sourced from PubChem (CID 102227489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).