3,3-dipropyloxetane

C9H18O — CID 529238

IUPAC3,3-dipropyloxetane
SMILESCCCC1(CCC)COC1
InChIInChI=1S/C9H18O/c1-3-5-9(6-4-2)7-10-8-9/h3-8H2,1-2H3
InChIKeyKBBVKCOHQLOPLP-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds4

About 3,3-dipropyloxetane

3,3-dipropyloxetane (PubChem CID 529238) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3,3-dipropyloxetane.

Molecular Properties

Compound Name3,3-dipropyloxetane
PubChem CID529238
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3,3-dipropyloxetane
SMILESCCCC1(CCC)COC1
InChIInChI=1S/C9H18O/c1-3-5-9(6-4-2)7-10-8-9/h3-8H2,1-2H3
InChIKeyKBBVKCOHQLOPLP-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Oxt-212
CID 21867834
3-Methyl-3-octyloxetane
CID 162658167
Oxetane, 3,3-dibutyl
CID 529231
Oxetane, 3-ethyl-3-butyl
CID 529312
3-Methyl-3-pentyl-oxetane
CID 22098118
3-Hexyl-3-methyl-oxetane
CID 67003203
3-(2-Ethyl-2-methylbutyl)-3-fluorooxetane
CID 132046211
3-(2-Ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane
CID 134477379
3-(2,2-Dimethylbutyl)-3-fluorooxetane
CID 139360161
3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane
CID 171753227
3-[(1R)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane
CID 171753459
3-(3-Fluoropropyl)-3-propan-2-yloxetane
CID 176664022

Frequently Asked Questions

What is the IUPAC name of 3,3-dipropyloxetane?
The IUPAC name of 3,3-dipropyloxetane (CID 529238) is 3,3-dipropyloxetane.
What is the SMILES notation for 3,3-dipropyloxetane?
The canonical SMILES for 3,3-dipropyloxetane is CCCC1(CCC)COC1.
What is the InChIKey of 3,3-dipropyloxetane?
The InChIKey is KBBVKCOHQLOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-9(6-4-2)7-10-8-9/h3-8H2,1-2H3.
What are the key properties of 3,3-dipropyloxetane?
3,3-dipropyloxetane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipropyloxetane is sourced from PubChem (CID 529238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).