3-tert-butyloxolane;ethane;propan-2-ylcyclobutane

C19H42O — CID 160519713

IUPAC3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
SMILESCC.CC.CC(C)(C)C1CCOC1.CC(C)C1CCC1
InChIInChI=1S/C8H16O.C7H14.2C2H6/c1-8(2,3)7-4-5-9-6-7;1-6(2)7-4-3-5-7;2*1-2/h7H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3;2*1-2H3
InChIKeyQUCOWGKXCAACAX-UHFFFAOYSA-N
MW286.54 g/mol
LogP6.56
Rot. Bonds1

About 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane

3-tert-butyloxolane;ethane;propan-2-ylcyclobutane (PubChem CID 160519713) has the molecular formula C19H42O and a molecular weight of 286.54 g/mol. Its IUPAC name is 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane.

Molecular Properties

Compound Name3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
PubChem CID160519713
Molecular FormulaC19H42O
Molecular Weight286.54 g/mol
Exact Mass286.32
IUPAC Name3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
SMILESCC.CC.CC(C)(C)C1CCOC1.CC(C)C1CCC1
InChIInChI=1S/C8H16O.C7H14.2C2H6/c1-8(2,3)7-4-5-9-6-7;1-6(2)7-4-3-5-7;2*1-2/h7H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3;2*1-2H3
InChIKeyQUCOWGKXCAACAX-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.54
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane?
The IUPAC name of 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane (CID 160519713) is 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane.
What is the SMILES notation for 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane?
The canonical SMILES for 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane is CC.CC.CC(C)(C)C1CCOC1.CC(C)C1CCC1.
What is the InChIKey of 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane?
The InChIKey is QUCOWGKXCAACAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C7H14.2C2H6/c1-8(2,3)7-4-5-9-6-7;1-6(2)7-4-3-5-7;2*1-2/h7H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane?
3-tert-butyloxolane;ethane;propan-2-ylcyclobutane has a molecular weight of 286.54 g/mol, XLogP of 6.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyloxolane;ethane;propan-2-ylcyclobutane is sourced from PubChem (CID 160519713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).