4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne

C17H32O — CID 89327199

IUPAC4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne
SMILESCCOC(C)(C#CC(C)(C)CC(C)C)CC(C)C
InChIInChI=1S/C17H32O/c1-9-18-17(8,13-15(4)5)11-10-16(6,7)12-14(2)3/h14-15H,9,12-13H2,1-8H3
InChIKeyCUIFCYRSIFWXJT-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.90
Rot. Bonds6

About 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne

4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne (PubChem CID 89327199) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne.

Molecular Properties

Compound Name4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne
PubChem CID89327199
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne
SMILESCCOC(C)(C#CC(C)(C)CC(C)C)CC(C)C
InChIInChI=1S/C17H32O/c1-9-18-17(8,13-15(4)5)11-10-16(6,7)12-14(2)3/h14-15H,9,12-13H2,1-8H3
InChIKeyCUIFCYRSIFWXJT-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne?
The IUPAC name of 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne (CID 89327199) is 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne.
What is the SMILES notation for 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne?
The canonical SMILES for 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne is CCOC(C)(C#CC(C)(C)CC(C)C)CC(C)C.
What is the InChIKey of 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne?
The InChIKey is CUIFCYRSIFWXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-9-18-17(8,13-15(4)5)11-10-16(6,7)12-14(2)3/h14-15H,9,12-13H2,1-8H3.
What are the key properties of 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne?
4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne has a molecular weight of 252.44 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,4,7,7,9-pentamethyldec-5-yne is sourced from PubChem (CID 89327199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).