2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol

C18H34O4 — CID 88848715

IUPAC2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol
SMILESCCOOC(C)(C#CC(C)(CC(C)C)OCCO)CC(C)C
InChIInChI=1S/C18H34O4/c1-8-21-22-18(7,14-16(4)5)10-9-17(6,13-15(2)3)20-12-11-19/h15-16,19H,8,11-14H2,1-7H3
InChIKeyGNQQWDFSHHTXFB-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.58
Rot. Bonds10

About 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol

2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol (PubChem CID 88848715) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol
PubChem CID88848715
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol
SMILESCCOOC(C)(C#CC(C)(CC(C)C)OCCO)CC(C)C
InChIInChI=1S/C18H34O4/c1-8-21-22-18(7,14-16(4)5)10-9-17(6,13-15(2)3)20-12-11-19/h15-16,19H,8,11-14H2,1-7H3
InChIKeyGNQQWDFSHHTXFB-UHFFFAOYSA-N
XLogP3.58
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol
CID 90718832
2-(3,5-dimethylhex-1-yn-3-yloxy)ethanol;5-(2-hydroxyethoxy)-2,5-dimethylhex-3-yn-2-ol;2-[9-(2-hydroxyethoxy)-2,4,6,9,11,13-hexamethyltetradec-7-yn-6-yl]oxyethanol
CID 161270672
4-[2-[7-(3-hydroxypropyl)-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]butane-1-sulfonic acid
CID 58719233
2-(2-hydroxyethoxy)-2-methylbutanenitrile
CID 103376048
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2-(4,7-dimethyloctan-4-yloxy)ethanol
CID 142712645
2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid
CID 103377553
2-(1-bromo-1-ethoxyethoxy)ethanol
CID 88660199
2-(2,2,3,4-tetramethylpentan-3-yloxy)ethanol
CID 142712384
2-(2,3,4,4-tetramethylpentan-2-yloxy)ethanol
CID 142712531
2,5-dimethylhex-3-yne-2,5-diol;2-(3,5-dimethylhex-1-yn-3-yloxy)ethanol;5-(2-hydroxyethoxy)-2,5-dimethylhex-3-yn-2-ol;2-[6-(2-hydroxyethoxy)-3,6-dimethyloct-4-yn-3-yl]oxyethanol;2-[5-(2-hydroxyethoxy)-2,5,7-trimethyl-2-propan-2-yloct-3-ynoxy]ethanol;methane;2-[(E)-pent-2-en-4-yn-2-yl]oxyethanol;2,5,7-trimethyl-2-propan-2-yloct-3-yne-1,5-diol
CID 158160915

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol?
The IUPAC name of 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol (CID 88848715) is 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol.
What is the SMILES notation for 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol?
The canonical SMILES for 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol is CCOOC(C)(C#CC(C)(CC(C)C)OCCO)CC(C)C.
What is the InChIKey of 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol?
The InChIKey is GNQQWDFSHHTXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-8-21-22-18(7,14-16(4)5)10-9-17(6,13-15(2)3)20-12-11-19/h15-16,19H,8,11-14H2,1-7H3.
What are the key properties of 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol?
2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol has a molecular weight of 314.47 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol is sourced from PubChem (CID 88848715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).