2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol

C15H32O3 — CID 170852286

IUPAC2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol
SMILESC1CO1.CC(CCO)CC(C)(C)C.CCC1CO1
InChIInChI=1S/C9H20O.C4H8O.C2H4O/c1-8(5-6-10)7-9(2,3)4;1-2-4-3-5-4;1-2-3-1/h8,10H,5-7H2,1-4H3;4H,2-3H2,1H3;1-2H2
InChIKeyAQGZSUYXWKEBAR-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.25
Rot. Bonds4

About 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol

2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol (PubChem CID 170852286) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol
PubChem CID170852286
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol
SMILESC1CO1.CC(CCO)CC(C)(C)C.CCC1CO1
InChIInChI=1S/C9H20O.C4H8O.C2H4O/c1-8(5-6-10)7-9(2,3)4;1-2-4-3-5-4;1-2-3-1/h8,10H,5-7H2,1-4H3;4H,2-3H2,1H3;1-2H2
InChIKeyAQGZSUYXWKEBAR-UHFFFAOYSA-N
XLogP3.25
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;2-ethyloxirane
CID 23290341
tetrakis(2-ethyloxirane);methane
CID 162010408
ethane;2-ethyl-1,4-dioxane
CID 170734415
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734
2,2,4,8,10,10-hexamethylundecane
CID 54023173
dimethylsilane;2-ethyloxirane
CID 175208147
4-amino-3-(oxolan-3-yl)pentan-1-ol
CID 66091697
2-(hydroxymethyl)-3-methyl-2-(oxiran-2-ylmethyl)butane-1,4-diol;oxirane
CID 88715352
2-ethyloxirane;2-hydroxy-1-phosphanylethanethione
CID 158779602
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
hexane;2,2,4-trimethyloctane
CID 174278610

Frequently Asked Questions

What is the IUPAC name of 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol?
The IUPAC name of 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol (CID 170852286) is 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol.
What is the SMILES notation for 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol?
The canonical SMILES for 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol is C1CO1.CC(CCO)CC(C)(C)C.CCC1CO1.
What is the InChIKey of 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol?
The InChIKey is AQGZSUYXWKEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C4H8O.C2H4O/c1-8(5-6-10)7-9(2,3)4;1-2-4-3-5-4;1-2-3-1/h8,10H,5-7H2,1-4H3;4H,2-3H2,1H3;1-2H2.
What are the key properties of 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol?
2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxirane;oxirane;3,5,5-trimethylhexan-1-ol is sourced from PubChem (CID 170852286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).