2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol

C10H18O3 — CID 65457188

IUPAC2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol
SMILESOC(CC1CCC1)C1COCCO1
InChIInChI=1S/C10H18O3/c11-9(6-8-2-1-3-8)10-7-12-4-5-13-10/h8-11H,1-7H2
InChIKeyQORKDRHJCWBNKM-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.95
Rot. Bonds3

About 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol

2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol (PubChem CID 65457188) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol
PubChem CID65457188
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol
SMILESOC(CC1CCC1)C1COCCO1
InChIInChI=1S/C10H18O3/c11-9(6-8-2-1-3-8)10-7-12-4-5-13-10/h8-11H,1-7H2
InChIKeyQORKDRHJCWBNKM-UHFFFAOYSA-N
XLogP0.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol (CID 65457188) is 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol is OC(CC1CCC1)C1COCCO1.
What is the InChIKey of 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol?
The InChIKey is QORKDRHJCWBNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-9(6-8-2-1-3-8)10-7-12-4-5-13-10/h8-11H,1-7H2.
What are the key properties of 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol?
2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol has a molecular weight of 186.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol is sourced from PubChem (CID 65457188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).