(2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane

C12H24O — CID 89066195

IUPAC(2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane
SMILESCC(C)(C)CC([C@@H]1CO1)C(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)7-9(10-8-13-10)12(4,5)6/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyFIOQLPOAYMVVIL-AXDSSHIGSA-N
MW184.32 g/mol
LogP3.48
Rot. Bonds2

About (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane

(2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane (PubChem CID 89066195) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane.

Molecular Properties

Compound Name(2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane
PubChem CID89066195
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane
SMILESCC(C)(C)CC([C@@H]1CO1)C(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)7-9(10-8-13-10)12(4,5)6/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyFIOQLPOAYMVVIL-AXDSSHIGSA-N
XLogP3.48
TPSA12.53 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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane?
The IUPAC name of (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane (CID 89066195) is (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane.
What is the SMILES notation for (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane?
The canonical SMILES for (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane is CC(C)(C)CC([C@@H]1CO1)C(C)(C)C.
What is the InChIKey of (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane?
The InChIKey is FIOQLPOAYMVVIL-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2,3)7-9(10-8-13-10)12(4,5)6/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1.
What are the key properties of (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane?
(2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane has a molecular weight of 184.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2,5,5-tetramethylhexan-3-yl)oxirane is sourced from PubChem (CID 89066195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).