(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane

C10H18O2 — CID 75525024

IUPAC(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
SMILESC[C@H]1CCOC(C2OC2(C)C)C1
InChIInChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyWJXPSIYAXOVSRJ-UEJVZZJDSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds1

About (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane

(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane (PubChem CID 75525024) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane.

Molecular Properties

Compound Name(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
PubChem CID75525024
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
SMILESC[C@H]1CCOC(C2OC2(C)C)C1
InChIInChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyWJXPSIYAXOVSRJ-UEJVZZJDSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
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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Related Compounds

Tetrahydro-4-methyl-2-(2-methylpropyl)-2H-pyran-4-ol
CID 3017432
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4R)-
CID 12104426
Oxirane, 2-[[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]methyl]-
CID 11458526
Oxirane, 2-[[(6-methylheptyl)oxy]methyl]-
CID 22571168
Oxirane, 2-(5-methoxy-1,5-dimethylhexyl)-
CID 170303
2-(((2-Ethylcyclohexyl)oxy)methyl)oxirane
CID 24704778
(1S,6R)-6-hexyl-3,4,7-trioxabicyclo[4.1.0]heptane
CID 16727788
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2S,4S)-
CID 12104424
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4S)-
CID 12104425
1,2-Epoxy-3,7,11-trimethyldodecane-3-OL
CID 13933140
(1S,6R)-6-(cyclohexylmethyl)-3,4,7-trioxabicyclo[4.1.0]heptane
CID 16727786
((2S,3S)-3-Methyl-3-(4-methylpentyl)oxiran-2-yl)methanol
CID 13585972

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane?
The IUPAC name of (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane (CID 75525024) is (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane.
What is the SMILES notation for (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane?
The canonical SMILES for (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane is C[C@H]1CCOC(C2OC2(C)C)C1.
What is the InChIKey of (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane?
The InChIKey is WJXPSIYAXOVSRJ-UEJVZZJDSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-4-5-11-8(6-7)9-10(2,3)12-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1.
What are the key properties of (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane?
(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane is sourced from PubChem (CID 75525024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).