2-hexan-2-yl-3-nonan-5-yloxirane

C17H34O — CID 123413596

IUPAC2-hexan-2-yl-3-nonan-5-yloxirane
SMILESCCCCC(C)C1OC1C(CCCC)CCCC
InChIInChI=1S/C17H34O/c1-5-8-11-14(4)16-17(18-16)15(12-9-6-2)13-10-7-3/h14-17H,5-13H2,1-4H3
InChIKeyWTCADJQEDDKTIJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.58
Rot. Bonds11

About 2-hexan-2-yl-3-nonan-5-yloxirane

2-hexan-2-yl-3-nonan-5-yloxirane (PubChem CID 123413596) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-hexan-2-yl-3-nonan-5-yloxirane.

Molecular Properties

Compound Name2-hexan-2-yl-3-nonan-5-yloxirane
PubChem CID123413596
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name2-hexan-2-yl-3-nonan-5-yloxirane
SMILESCCCCC(C)C1OC1C(CCCC)CCCC
InChIInChI=1S/C17H34O/c1-5-8-11-14(4)16-17(18-16)15(12-9-6-2)13-10-7-3/h14-17H,5-13H2,1-4H3
InChIKeyWTCADJQEDDKTIJ-UHFFFAOYSA-N
XLogP5.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.58
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

2-decan-4-yl-3-methyloxirane
CID 88790238
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-undecan-2-yloxolane-3,4-diol
CID 89443137
(2R,3S)-3-[(2R)-octadecan-2-yl]oxirane-2-carbaldehyde
CID 45378421
4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane;2-heptan-3-yl-4,5-dimethyl-1,3-dioxolane
CID 160595612
2-(1-chloroethyl)-3-(1-chlorohexyl)oxirane
CID 154136068
tributyl(methyl)phosphanium
CID 2760115
tetrabutylphosphanium;tin(4+)
CID 160650774
1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
CID 10419307
hexan-2-ol;zirconium
CID 174835617
(3R,4S,5R)-2-docosan-2-yloxane-3,4,5-triol
CID 70482325
(3R,4S,5R)-2-hexadecan-2-yloxane-3,4,5-triol
CID 70482565

Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yl-3-nonan-5-yloxirane?
The IUPAC name of 2-hexan-2-yl-3-nonan-5-yloxirane (CID 123413596) is 2-hexan-2-yl-3-nonan-5-yloxirane.
What is the SMILES notation for 2-hexan-2-yl-3-nonan-5-yloxirane?
The canonical SMILES for 2-hexan-2-yl-3-nonan-5-yloxirane is CCCCC(C)C1OC1C(CCCC)CCCC.
What is the InChIKey of 2-hexan-2-yl-3-nonan-5-yloxirane?
The InChIKey is WTCADJQEDDKTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-5-8-11-14(4)16-17(18-16)15(12-9-6-2)13-10-7-3/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-hexan-2-yl-3-nonan-5-yloxirane?
2-hexan-2-yl-3-nonan-5-yloxirane has a molecular weight of 254.46 g/mol, XLogP of 5.58, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-3-nonan-5-yloxirane is sourced from PubChem (CID 123413596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).