2-tert-butyl-5-methyl-2-propan-2-yloxolane

C12H24O — CID 69056926

IUPAC2-tert-butyl-5-methyl-2-propan-2-yloxolane
SMILESCC1CCC(C(C)C)(C(C)(C)C)O1
InChIInChI=1S/C12H24O/c1-9(2)12(11(4,5)6)8-7-10(3)13-12/h9-10H,7-8H2,1-6H3
InChIKeyWVNFOXWACYWFHQ-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds1

About 2-tert-butyl-5-methyl-2-propan-2-yloxolane

2-tert-butyl-5-methyl-2-propan-2-yloxolane (PubChem CID 69056926) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-2-propan-2-yloxolane.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-2-propan-2-yloxolane
PubChem CID69056926
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-tert-butyl-5-methyl-2-propan-2-yloxolane
SMILESCC1CCC(C(C)C)(C(C)(C)C)O1
InChIInChI=1S/C12H24O/c1-9(2)12(11(4,5)6)8-7-10(3)13-12/h9-10H,7-8H2,1-6H3
InChIKeyWVNFOXWACYWFHQ-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
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-propan-2-yloxolane?
The IUPAC name of 2-tert-butyl-5-methyl-2-propan-2-yloxolane (CID 69056926) is 2-tert-butyl-5-methyl-2-propan-2-yloxolane.
What is the SMILES notation for 2-tert-butyl-5-methyl-2-propan-2-yloxolane?
The canonical SMILES for 2-tert-butyl-5-methyl-2-propan-2-yloxolane is CC1CCC(C(C)C)(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-5-methyl-2-propan-2-yloxolane?
The InChIKey is WVNFOXWACYWFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)12(11(4,5)6)8-7-10(3)13-12/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-5-methyl-2-propan-2-yloxolane?
2-tert-butyl-5-methyl-2-propan-2-yloxolane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 1 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-propan-2-yloxolane is sourced from PubChem (CID 69056926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).