2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol

C9H18O3 — CID 11137622

IUPAC2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol
SMILESOCCC1(CCO)CCOCC1
InChIInChI=1S/C9H18O3/c10-5-1-9(2-6-11)3-7-12-8-4-9/h10-11H,1-8H2
InChIKeyYWBCSRDDQZONFN-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.55
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol

2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol (PubChem CID 11137622) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol
PubChem CID11137622
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol
SMILESOCCC1(CCO)CCOCC1
InChIInChI=1S/C9H18O3/c10-5-1-9(2-6-11)3-7-12-8-4-9/h10-11H,1-8H2
InChIKeyYWBCSRDDQZONFN-UHFFFAOYSA-N
XLogP0.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol (CID 11137622) is 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol is OCCC1(CCO)CCOCC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol?
The InChIKey is YWBCSRDDQZONFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c10-5-1-9(2-6-11)3-7-12-8-4-9/h10-11H,1-8H2.
What are the key properties of 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol?
2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol has a molecular weight of 174.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)oxan-4-yl]ethanol is sourced from PubChem (CID 11137622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).