2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane

C14H30O — CID 161043827

IUPAC2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane
SMILESCC(C)C1(C)OC1C.[3H]C(C)C(C)C(C)C
InChIInChI=1S/C7H14O.C7H16/c1-5(2)7(4)6(3)8-7;1-5-7(4)6(2)3/h5-6H,1-4H3;6-7H,5H2,1-4H3/i;5T
InChIKeyUBFUSYLGFYDPCN-YLKHFKOSSA-N
MW216.40 g/mol
LogP4.51
Rot. Bonds3

About 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane

2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane (PubChem CID 161043827) has the molecular formula C14H30O and a molecular weight of 216.40 g/mol. Its IUPAC name is 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane.

Molecular Properties

Compound Name2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane
PubChem CID161043827
Molecular FormulaC14H30O
Molecular Weight216.40 g/mol
Exact Mass216.24
IUPAC Name2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane
SMILESCC(C)C1(C)OC1C.[3H]C(C)C(C)C(C)C
InChIInChI=1S/C7H14O.C7H16/c1-5(2)7(4)6(3)8-7;1-5-7(4)6(2)3/h5-6H,1-4H3;6-7H,5H2,1-4H3/i;5T
InChIKeyUBFUSYLGFYDPCN-YLKHFKOSSA-N
XLogP4.51
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 54.51
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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Related Compounds

(4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane
CID 10727392
2-methyl-2,3-di(propan-2-yl)oxirane
CID 18716113
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
3-(2,3-dimethyloxiran-2-yl)butan-2-one
CID 24972629
3-methyl-3-propan-2-yloxirane-2-carbonitrile
CID 45120377
1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 176797238
(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
CID 10976171
N-benzyl-1-(2,3-dimethyloxiran-2-yl)ethanamine
CID 23268450
1-ethyl-2,3-dimethyl-2-(nitrosomethyl)-1-propan-2-ylcyclopropane
CID 89257009
sodium 3-methyl-3-propan-2-yloxirane-2-carboxylic acid
CID 54606526
CID 123436450
CID 123436450
(2R,4R)-2,3,4-triethyl-2,3,4,5-tetramethyloxolane
CID 58591824

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane?
The IUPAC name of 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane (CID 161043827) is 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane.
What is the SMILES notation for 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane?
The canonical SMILES for 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane is CC(C)C1(C)OC1C.[3H]C(C)C(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane?
The InChIKey is UBFUSYLGFYDPCN-YLKHFKOSSA-N. The full InChI is InChI=1S/C7H14O.C7H16/c1-5(2)7(4)6(3)8-7;1-5-7(4)6(2)3/h5-6H,1-4H3;6-7H,5H2,1-4H3/i;5T.
What are the key properties of 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane?
2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane has a molecular weight of 216.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane is sourced from PubChem (CID 161043827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).