(1S)-1-[(3R)-oxolan-3-yl]ethanol

C6H12O2 — CID 95763789

IUPAC(1S)-1-[(3R)-oxolan-3-yl]ethanol
SMILESC[C@H](O)[C@@H]1CCOC1
InChIInChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyARDSHQRPKXPELC-NTSWFWBYSA-N
MW116.16 g/mol
LogP0.40
Rot. Bonds1

About (1S)-1-[(3R)-oxolan-3-yl]ethanol

(1S)-1-[(3R)-oxolan-3-yl]ethanol (PubChem CID 95763789) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (1S)-1-[(3R)-oxolan-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(3R)-oxolan-3-yl]ethanol
PubChem CID95763789
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(1S)-1-[(3R)-oxolan-3-yl]ethanol
SMILESC[C@H](O)[C@@H]1CCOC1
InChIInChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyARDSHQRPKXPELC-NTSWFWBYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
2-amino-2-methyl-1-(oxolan-3-yl)propan-1-ol
CID 66037864
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890653
1-(oxolan-3-yl)-2-propylpentan-1-ol
CID 115798272
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
3-butan-2-yloxolane;ethane
CID 143988733
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R)-oxolan-3-yl]ethanol?
The IUPAC name of (1S)-1-[(3R)-oxolan-3-yl]ethanol (CID 95763789) is (1S)-1-[(3R)-oxolan-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[(3R)-oxolan-3-yl]ethanol?
The canonical SMILES for (1S)-1-[(3R)-oxolan-3-yl]ethanol is C[C@H](O)[C@@H]1CCOC1.
What is the InChIKey of (1S)-1-[(3R)-oxolan-3-yl]ethanol?
The InChIKey is ARDSHQRPKXPELC-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (1S)-1-[(3R)-oxolan-3-yl]ethanol?
(1S)-1-[(3R)-oxolan-3-yl]ethanol has a molecular weight of 116.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R)-oxolan-3-yl]ethanol is sourced from PubChem (CID 95763789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).