3-methyl-2-propyloxetan-3-ol

C7H14O2 — CID 22138121

IUPAC3-methyl-2-propyloxetan-3-ol
SMILESCCCC1OCC1(C)O
InChIInChI=1S/C7H14O2/c1-3-4-6-7(2,8)5-9-6/h6,8H,3-5H2,1-2H3
InChIKeyCTVUCFGTFIJBBR-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds2

About 3-methyl-2-propyloxetan-3-ol

3-methyl-2-propyloxetan-3-ol (PubChem CID 22138121) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-methyl-2-propyloxetan-3-ol.

Molecular Properties

Compound Name3-methyl-2-propyloxetan-3-ol
PubChem CID22138121
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-methyl-2-propyloxetan-3-ol
SMILESCCCC1OCC1(C)O
InChIInChI=1S/C7H14O2/c1-3-4-6-7(2,8)5-9-6/h6,8H,3-5H2,1-2H3
InChIKeyCTVUCFGTFIJBBR-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyloxetan-3-ol?
The IUPAC name of 3-methyl-2-propyloxetan-3-ol (CID 22138121) is 3-methyl-2-propyloxetan-3-ol.
What is the SMILES notation for 3-methyl-2-propyloxetan-3-ol?
The canonical SMILES for 3-methyl-2-propyloxetan-3-ol is CCCC1OCC1(C)O.
What is the InChIKey of 3-methyl-2-propyloxetan-3-ol?
The InChIKey is CTVUCFGTFIJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-6-7(2,8)5-9-6/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-methyl-2-propyloxetan-3-ol?
3-methyl-2-propyloxetan-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyloxetan-3-ol is sourced from PubChem (CID 22138121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).