3-(2-methylpropyl)oxetan-3-ol

C7H14O2 — CID 83681744

IUPAC3-(2-methylpropyl)oxetan-3-ol
SMILESCC(C)CC1(O)COC1
InChIInChI=1S/C7H14O2/c1-6(2)3-7(8)4-9-5-7/h6,8H,3-5H2,1-2H3
InChIKeyCTRRIXCKTVCPFD-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds2

About 3-(2-methylpropyl)oxetan-3-ol

3-(2-methylpropyl)oxetan-3-ol (PubChem CID 83681744) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-(2-methylpropyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)oxetan-3-ol
PubChem CID83681744
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-(2-methylpropyl)oxetan-3-ol
SMILESCC(C)CC1(O)COC1
InChIInChI=1S/C7H14O2/c1-6(2)3-7(8)4-9-5-7/h6,8H,3-5H2,1-2H3
InChIKeyCTRRIXCKTVCPFD-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 3-(2-methylpropyl)oxetan-3-ol?
The IUPAC name of 3-(2-methylpropyl)oxetan-3-ol (CID 83681744) is 3-(2-methylpropyl)oxetan-3-ol.
What is the SMILES notation for 3-(2-methylpropyl)oxetan-3-ol?
The canonical SMILES for 3-(2-methylpropyl)oxetan-3-ol is CC(C)CC1(O)COC1.
What is the InChIKey of 3-(2-methylpropyl)oxetan-3-ol?
The InChIKey is CTRRIXCKTVCPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(2)3-7(8)4-9-5-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)oxetan-3-ol?
3-(2-methylpropyl)oxetan-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)oxetan-3-ol is sourced from PubChem (CID 83681744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).