3-tert-butyloxetane;molecular hydrogen

C7H16O — CID 159874653

IUPAC3-tert-butyloxetane;molecular hydrogen
SMILESCC(C)(C)C1COC1.[H][H]
InChIInChI=1S/C7H14O.H2/c1-7(2,3)6-4-8-5-6;/h6H,4-5H2,1-3H3;1H
InChIKeyNSTBSFGOEDNAPH-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.92
Rot. Bonds

About 3-tert-butyloxetane;molecular hydrogen

3-tert-butyloxetane;molecular hydrogen (PubChem CID 159874653) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 3-tert-butyloxetane;molecular hydrogen.

Molecular Properties

Compound Name3-tert-butyloxetane;molecular hydrogen
PubChem CID159874653
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name3-tert-butyloxetane;molecular hydrogen
SMILESCC(C)(C)C1COC1.[H][H]
InChIInChI=1S/C7H14O.H2/c1-7(2,3)6-4-8-5-6;/h6H,4-5H2,1-3H3;1H
InChIKeyNSTBSFGOEDNAPH-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyloxetane;molecular hydrogen?
The IUPAC name of 3-tert-butyloxetane;molecular hydrogen (CID 159874653) is 3-tert-butyloxetane;molecular hydrogen.
What is the SMILES notation for 3-tert-butyloxetane;molecular hydrogen?
The canonical SMILES for 3-tert-butyloxetane;molecular hydrogen is CC(C)(C)C1COC1.[H][H].
What is the InChIKey of 3-tert-butyloxetane;molecular hydrogen?
The InChIKey is NSTBSFGOEDNAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.H2/c1-7(2,3)6-4-8-5-6;/h6H,4-5H2,1-3H3;1H.
What are the key properties of 3-tert-butyloxetane;molecular hydrogen?
3-tert-butyloxetane;molecular hydrogen has a molecular weight of 116.20 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyloxetane;molecular hydrogen is sourced from PubChem (CID 159874653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).