(1S)-1-(oxan-4-yl)ethanol

C7H14O2 — CID 65334692

IUPAC(1S)-1-(oxan-4-yl)ethanol
SMILESC[C@H](O)C1CCOCC1
InChIInChI=1S/C7H14O2/c1-6(8)7-2-4-9-5-3-7/h6-8H,2-5H2,1H3/t6-/m0/s1
InChIKeyHNSFAXPMNOFMQI-LURJTMIESA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About (1S)-1-(oxan-4-yl)ethanol

(1S)-1-(oxan-4-yl)ethanol (PubChem CID 65334692) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (1S)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(oxan-4-yl)ethanol
PubChem CID65334692
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(1S)-1-(oxan-4-yl)ethanol
SMILESC[C@H](O)C1CCOCC1
InChIInChI=1S/C7H14O2/c1-6(8)7-2-4-9-5-3-7/h6-8H,2-5H2,1H3/t6-/m0/s1
InChIKeyHNSFAXPMNOFMQI-LURJTMIESA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(oxan-4-yl)ethanol?
The IUPAC name of (1S)-1-(oxan-4-yl)ethanol (CID 65334692) is (1S)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for (1S)-1-(oxan-4-yl)ethanol?
The canonical SMILES for (1S)-1-(oxan-4-yl)ethanol is C[C@H](O)C1CCOCC1.
What is the InChIKey of (1S)-1-(oxan-4-yl)ethanol?
The InChIKey is HNSFAXPMNOFMQI-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O2/c1-6(8)7-2-4-9-5-3-7/h6-8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(oxan-4-yl)ethanol?
(1S)-1-(oxan-4-yl)ethanol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 65334692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).