3-propyloxetan-3-ol

C6H12O2 — CID 54092188

IUPAC3-propyloxetan-3-ol
SMILESCCCC1(O)COC1
InChIInChI=1S/C6H12O2/c1-2-3-6(7)4-8-5-6/h7H,2-5H2,1H3
InChIKeyMIGOYAQCILRXHO-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds2

About 3-propyloxetan-3-ol

3-propyloxetan-3-ol (PubChem CID 54092188) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-propyloxetan-3-ol.

Molecular Properties

Compound Name3-propyloxetan-3-ol
PubChem CID54092188
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-propyloxetan-3-ol
SMILESCCCC1(O)COC1
InChIInChI=1S/C6H12O2/c1-2-3-6(7)4-8-5-6/h7H,2-5H2,1H3
InChIKeyMIGOYAQCILRXHO-UHFFFAOYSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-Dimethyloxetan-2-YL)methanol
CID 12284127
(1-Methoxycyclobutyl)methanol
CID 21896007
3-Cyclopropyloxetan-3-ol
CID 71742706
2-(Oxetan-2-yl)propan-2-ol
CID 84647732
2,2,3-Trimethyl-3-oxetanol
CID 537396
(2s)-2-Methoxy-2-methyl-1-pentanol
CID 9833964
1-Methoxy-2-methylpentan-2-ol
CID 13512564
2,3-Dimethyloxetan-3-ol
CID 15889752
(2-Ethyloxetan-2-yl)methanol
CID 17900281
3-Methyl-2-propyloxetan-3-ol
CID 22138121
2,3-Diethyloxetan-3-ol
CID 22138126
3-Ethyl-3-hydroxy-methyloxetane
CID 22138127

Frequently Asked Questions

What is the IUPAC name of 3-propyloxetan-3-ol?
The IUPAC name of 3-propyloxetan-3-ol (CID 54092188) is 3-propyloxetan-3-ol.
What is the SMILES notation for 3-propyloxetan-3-ol?
The canonical SMILES for 3-propyloxetan-3-ol is CCCC1(O)COC1.
What is the InChIKey of 3-propyloxetan-3-ol?
The InChIKey is MIGOYAQCILRXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-3-6(7)4-8-5-6/h7H,2-5H2,1H3.
What are the key properties of 3-propyloxetan-3-ol?
3-propyloxetan-3-ol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyloxetan-3-ol is sourced from PubChem (CID 54092188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).