(1S)-1-(oxolan-3-yl)ethanol

C6H12O2 — CID 65329030

IUPAC(1S)-1-(oxolan-3-yl)ethanol
SMILESC[C@H](O)C1CCOC1
InChIInChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyARDSHQRPKXPELC-ZBHICJROSA-N
MW116.16 g/mol
LogP0.40
Rot. Bonds1

About (1S)-1-(oxolan-3-yl)ethanol

(1S)-1-(oxolan-3-yl)ethanol (PubChem CID 65329030) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (1S)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(oxolan-3-yl)ethanol
PubChem CID65329030
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(1S)-1-(oxolan-3-yl)ethanol
SMILESC[C@H](O)C1CCOC1
InChIInChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyARDSHQRPKXPELC-ZBHICJROSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(oxolan-3-yl)ethanol?
The IUPAC name of (1S)-1-(oxolan-3-yl)ethanol (CID 65329030) is (1S)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for (1S)-1-(oxolan-3-yl)ethanol is C[C@H](O)C1CCOC1.
What is the InChIKey of (1S)-1-(oxolan-3-yl)ethanol?
The InChIKey is ARDSHQRPKXPELC-ZBHICJROSA-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-(oxolan-3-yl)ethanol?
(1S)-1-(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-(oxolan-3-yl)ethanol is sourced from PubChem (CID 65329030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).