2-tert-butyl-5-methyl-2-propyloxolane

C12H24O — CID 11658402

IUPAC2-tert-butyl-5-methyl-2-propyloxolane
SMILESCCCC1(C(C)(C)C)CCC(C)O1
InChIInChI=1S/C12H24O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h10H,6-9H2,1-5H3
InChIKeyJJNUWXRAXGKBHA-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds2

About 2-tert-butyl-5-methyl-2-propyloxolane

2-tert-butyl-5-methyl-2-propyloxolane (PubChem CID 11658402) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-2-propyloxolane.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-2-propyloxolane
PubChem CID11658402
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-tert-butyl-5-methyl-2-propyloxolane
SMILESCCCC1(C(C)(C)C)CCC(C)O1
InChIInChI=1S/C12H24O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h10H,6-9H2,1-5H3
InChIKeyJJNUWXRAXGKBHA-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-2-propyloxolane?
The IUPAC name of 2-tert-butyl-5-methyl-2-propyloxolane (CID 11658402) is 2-tert-butyl-5-methyl-2-propyloxolane.
What is the SMILES notation for 2-tert-butyl-5-methyl-2-propyloxolane?
The canonical SMILES for 2-tert-butyl-5-methyl-2-propyloxolane is CCCC1(C(C)(C)C)CCC(C)O1.
What is the InChIKey of 2-tert-butyl-5-methyl-2-propyloxolane?
The InChIKey is JJNUWXRAXGKBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h10H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-5-methyl-2-propyloxolane?
2-tert-butyl-5-methyl-2-propyloxolane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-2-propyloxolane is sourced from PubChem (CID 11658402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).