2-(4,7-diethyldec-5-ynoxy)ethanol

C16H30O2 — CID 151593123

IUPAC2-(4,7-diethyldec-5-ynoxy)ethanol
SMILESCCCC(C#CC(CC)CCCOCCO)CC
InChIInChI=1S/C16H30O2/c1-4-8-15(5-2)10-11-16(6-3)9-7-13-18-14-12-17/h15-17H,4-9,12-14H2,1-3H3
InChIKeyQIXANSLXOUBHLU-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.63
Rot. Bonds10

About 2-(4,7-diethyldec-5-ynoxy)ethanol

2-(4,7-diethyldec-5-ynoxy)ethanol (PubChem CID 151593123) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-(4,7-diethyldec-5-ynoxy)ethanol.

Molecular Properties

Compound Name2-(4,7-diethyldec-5-ynoxy)ethanol
PubChem CID151593123
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-(4,7-diethyldec-5-ynoxy)ethanol
SMILESCCCC(C#CC(CC)CCCOCCO)CC
InChIInChI=1S/C16H30O2/c1-4-8-15(5-2)10-11-16(6-3)9-7-13-18-14-12-17/h15-17H,4-9,12-14H2,1-3H3
InChIKeyQIXANSLXOUBHLU-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-ethyloctoxy)ethoxy]ethanol
CID 176653109
2-butoxyethanol
CID 8133
2-[2-[2-[2-[2-(4-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653005
2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176652982
butane-1,1-diol;2-(2-hydroxyethoxy)ethanol
CID 87212260
butan-2-ol;2-butoxyethanol
CID 118377400
2-(4-butyldecoxy)ethanol
CID 166649163
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[7-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-methyl-4-propan-2-ylnon-5-ynoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 88555264
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
2-dodecoxyethanol
CID 24750

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-diethyldec-5-ynoxy)ethanol?
The IUPAC name of 2-(4,7-diethyldec-5-ynoxy)ethanol (CID 151593123) is 2-(4,7-diethyldec-5-ynoxy)ethanol.
What is the SMILES notation for 2-(4,7-diethyldec-5-ynoxy)ethanol?
The canonical SMILES for 2-(4,7-diethyldec-5-ynoxy)ethanol is CCCC(C#CC(CC)CCCOCCO)CC.
What is the InChIKey of 2-(4,7-diethyldec-5-ynoxy)ethanol?
The InChIKey is QIXANSLXOUBHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-8-15(5-2)10-11-16(6-3)9-7-13-18-14-12-17/h15-17H,4-9,12-14H2,1-3H3.
What are the key properties of 2-(4,7-diethyldec-5-ynoxy)ethanol?
2-(4,7-diethyldec-5-ynoxy)ethanol has a molecular weight of 254.41 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-diethyldec-5-ynoxy)ethanol is sourced from PubChem (CID 151593123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).