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

C9H16O3 — CID 65350652

IUPAC2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol
SMILESOC(CC1CC1)C1COCCO1
InChIInChI=1S/C9H16O3/c10-8(5-7-1-2-7)9-6-11-3-4-12-9/h7-10H,1-6H2
InChIKeyQSPUUCLCJWLCMS-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.56
Rot. Bonds3

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

2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol (PubChem CID 65350652) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol
PubChem CID65350652
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol
SMILESOC(CC1CC1)C1COCCO1
InChIInChI=1S/C9H16O3/c10-8(5-7-1-2-7)9-6-11-3-4-12-9/h7-10H,1-6H2
InChIKeyQSPUUCLCJWLCMS-UHFFFAOYSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol?
The IUPAC name of 2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol (CID 65350652) is 2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol.
What is the SMILES notation for 2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol?
The canonical SMILES for 2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol is OC(CC1CC1)C1COCCO1.
What is the InChIKey of 2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol?
The InChIKey is QSPUUCLCJWLCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-8(5-7-1-2-7)9-6-11-3-4-12-9/h7-10H,1-6H2.
What are the key properties of 2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol?
2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol has a molecular weight of 172.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol is sourced from PubChem (CID 65350652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).