ethane;3-propyloxetan-3-ol

C8H18O2 — CID 66876158

IUPACethane;3-propyloxetan-3-ol
SMILESCC.CCCC1(O)COC1
InChIInChI=1S/C6H12O2.C2H6/c1-2-3-6(7)4-8-5-6;1-2/h7H,2-5H2,1H3;1-2H3
InChIKeyWMUJKAZPHDSFSQ-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds2

About ethane;3-propyloxetan-3-ol

ethane;3-propyloxetan-3-ol (PubChem CID 66876158) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is ethane;3-propyloxetan-3-ol.

Molecular Properties

Compound Nameethane;3-propyloxetan-3-ol
PubChem CID66876158
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Nameethane;3-propyloxetan-3-ol
SMILESCC.CCCC1(O)COC1
InChIInChI=1S/C6H12O2.C2H6/c1-2-3-6(7)4-8-5-6;1-2/h7H,2-5H2,1H3;1-2H3
InChIKeyWMUJKAZPHDSFSQ-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-propyloxetan-3-ol?
The IUPAC name of ethane;3-propyloxetan-3-ol (CID 66876158) is ethane;3-propyloxetan-3-ol.
What is the SMILES notation for ethane;3-propyloxetan-3-ol?
The canonical SMILES for ethane;3-propyloxetan-3-ol is CC.CCCC1(O)COC1.
What is the InChIKey of ethane;3-propyloxetan-3-ol?
The InChIKey is WMUJKAZPHDSFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H6/c1-2-3-6(7)4-8-5-6;1-2/h7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-propyloxetan-3-ol?
ethane;3-propyloxetan-3-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propyloxetan-3-ol is sourced from PubChem (CID 66876158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).