(3,3-diethyloxetan-2-yl)methanol

C8H16O2 — CID 14592012

IUPAC(3,3-diethyloxetan-2-yl)methanol
SMILESCCC1(CC)COC1CO
InChIInChI=1S/C8H16O2/c1-3-8(4-2)6-10-7(8)5-9/h7,9H,3-6H2,1-2H3
InChIKeyQZJMCPUYQLAFOU-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds3

About (3,3-diethyloxetan-2-yl)methanol

(3,3-diethyloxetan-2-yl)methanol (PubChem CID 14592012) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3,3-diethyloxetan-2-yl)methanol.

Molecular Properties

Compound Name(3,3-diethyloxetan-2-yl)methanol
PubChem CID14592012
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3,3-diethyloxetan-2-yl)methanol
SMILESCCC1(CC)COC1CO
InChIInChI=1S/C8H16O2/c1-3-8(4-2)6-10-7(8)5-9/h7,9H,3-6H2,1-2H3
InChIKeyQZJMCPUYQLAFOU-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-diethyloxetan-2-yl)methanol?
The IUPAC name of (3,3-diethyloxetan-2-yl)methanol (CID 14592012) is (3,3-diethyloxetan-2-yl)methanol.
What is the SMILES notation for (3,3-diethyloxetan-2-yl)methanol?
The canonical SMILES for (3,3-diethyloxetan-2-yl)methanol is CCC1(CC)COC1CO.
What is the InChIKey of (3,3-diethyloxetan-2-yl)methanol?
The InChIKey is QZJMCPUYQLAFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-8(4-2)6-10-7(8)5-9/h7,9H,3-6H2,1-2H3.
What are the key properties of (3,3-diethyloxetan-2-yl)methanol?
(3,3-diethyloxetan-2-yl)methanol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethyloxetan-2-yl)methanol is sourced from PubChem (CID 14592012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).