(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane

C9H18O2 — CID 123212329

IUPAC(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane
SMILESCC(C)(C)OC(C)(C)[C@@H]1CO1
InChIInChI=1S/C9H18O2/c1-8(2,3)11-9(4,5)7-6-10-7/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyMKBUNAVNCOLVJW-ZETCQYMHSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds2

About (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane

(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane (PubChem CID 123212329) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane.

Molecular Properties

Compound Name(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane
PubChem CID123212329
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane
SMILESCC(C)(C)OC(C)(C)[C@@H]1CO1
InChIInChI=1S/C9H18O2/c1-8(2,3)11-9(4,5)7-6-10-7/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyMKBUNAVNCOLVJW-ZETCQYMHSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane?
The IUPAC name of (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane (CID 123212329) is (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane.
What is the SMILES notation for (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane?
The canonical SMILES for (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane is CC(C)(C)OC(C)(C)[C@@H]1CO1.
What is the InChIKey of (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane?
The InChIKey is MKBUNAVNCOLVJW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2,3)11-9(4,5)7-6-10-7/h7H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane?
(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxirane is sourced from PubChem (CID 123212329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).