2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane

C10H16O — CID 11367103

IUPAC2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane
SMILESC#CCC(C)(C)CC1(C)CO1
InChIInChI=1S/C10H16O/c1-5-6-9(2,3)7-10(4)8-11-10/h1H,6-8H2,2-4H3
InChIKeySKMIMNRZWIKXIR-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.21
Rot. Bonds3

About 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane

2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane (PubChem CID 11367103) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane
PubChem CID11367103
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane
SMILESC#CCC(C)(C)CC1(C)CO1
InChIInChI=1S/C10H16O/c1-5-6-9(2,3)7-10(4)8-11-10/h1H,6-8H2,2-4H3
InChIKeySKMIMNRZWIKXIR-UHFFFAOYSA-N
XLogP2.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(2,2,4,4-tetramethylhept-6-enyl)oxirane
CID 22712633
4,4-dimethylhex-1-yne
CID 529272
4,4-dimethylhept-1-yne
CID 54097689
3,3-dimethylhex-5-yn-1-ol
CID 58124842
2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)but-3-yn-2-ol
CID 2827395
1,3-bis(2-methyloxiran-2-yl)propan-2-ol
CID 88762756
2-(2-methyloxiran-2-yl)acetaldehyde
CID 14691612
(2-methyloxiran-2-yl)methanethiol
CID 141439358
(2S)-2-(chloromethyl)-2-methyloxirane
CID 7164677
tert-butyl (3S)-3-[(4R)-4-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropanoate
CID 132573158
2,3,3-trimethylhex-1-en-5-yne
CID 123638102
2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
CID 59339950

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane?
The IUPAC name of 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane (CID 11367103) is 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane.
What is the SMILES notation for 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane?
The canonical SMILES for 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane is C#CCC(C)(C)CC1(C)CO1.
What is the InChIKey of 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane?
The InChIKey is SKMIMNRZWIKXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-6-9(2,3)7-10(4)8-11-10/h1H,6-8H2,2-4H3.
What are the key properties of 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane?
2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane has a molecular weight of 152.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpent-4-ynyl)-2-methyloxirane is sourced from PubChem (CID 11367103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).