3-(2,2-dimethylhexyl)oxiran-2-ol

C10H20O2 — CID 123843770

IUPAC3-(2,2-dimethylhexyl)oxiran-2-ol
SMILESCCCCC(C)(C)CC1OC1O
InChIInChI=1S/C10H20O2/c1-4-5-6-10(2,3)7-8-9(11)12-8/h8-9,11H,4-7H2,1-3H3
InChIKeyOVMDQLDMGUJSTB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.31
Rot. Bonds5

About 3-(2,2-dimethylhexyl)oxiran-2-ol

3-(2,2-dimethylhexyl)oxiran-2-ol (PubChem CID 123843770) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(2,2-dimethylhexyl)oxiran-2-ol.

Molecular Properties

Compound Name3-(2,2-dimethylhexyl)oxiran-2-ol
PubChem CID123843770
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(2,2-dimethylhexyl)oxiran-2-ol
SMILESCCCCC(C)(C)CC1OC1O
InChIInChI=1S/C10H20O2/c1-4-5-6-10(2,3)7-8-9(11)12-8/h8-9,11H,4-7H2,1-3H3
InChIKeyOVMDQLDMGUJSTB-UHFFFAOYSA-N
XLogP2.31
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylbutyl)-3-(2,2-dimethylpentyl)oxirane
CID 123952297
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane
CID 156867951
azane;2-(2,2-dimethyltritriacontyl)oxirane
CID 174889957
3-butyloxiran-2-ol;2-methyloxirane
CID 18471520
16,16,21,21-tetramethylhexatriacontane
CID 174880889
3-butyl-5-(hydroxymethyl)-1,4-dioxane-2,6-diol;ethane
CID 164585428
2,2-dimethylhexane
CID 169424592
dilithium;carbanide;2,2-dimethylhexan-1-olate
CID 135006496
2,2-dimethyldecan-1-ol
CID 520069
3,3-dimethyloctan-1-ol
CID 18704344

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhexyl)oxiran-2-ol?
The IUPAC name of 3-(2,2-dimethylhexyl)oxiran-2-ol (CID 123843770) is 3-(2,2-dimethylhexyl)oxiran-2-ol.
What is the SMILES notation for 3-(2,2-dimethylhexyl)oxiran-2-ol?
The canonical SMILES for 3-(2,2-dimethylhexyl)oxiran-2-ol is CCCCC(C)(C)CC1OC1O.
What is the InChIKey of 3-(2,2-dimethylhexyl)oxiran-2-ol?
The InChIKey is OVMDQLDMGUJSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-10(2,3)7-8-9(11)12-8/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylhexyl)oxiran-2-ol?
3-(2,2-dimethylhexyl)oxiran-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhexyl)oxiran-2-ol is sourced from PubChem (CID 123843770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).