2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol

C17H32O2 — CID 90718832

IUPAC2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol
SMILESCC(C)CC(C)(C)C#CC(C)(CC(C)C)OCCO
InChIInChI=1S/C17H32O2/c1-14(2)12-16(5,6)8-9-17(7,13-15(3)4)19-11-10-18/h14-15,18H,10-13H2,1-7H3
InChIKeyFQQUTQNILSNLHF-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.88
Rot. Bonds7

About 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol

2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol (PubChem CID 90718832) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol.

Molecular Properties

Compound Name2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol
PubChem CID90718832
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol
SMILESCC(C)CC(C)(C)C#CC(C)(CC(C)C)OCCO
InChIInChI=1S/C17H32O2/c1-14(2)12-16(5,6)8-9-17(7,13-15(3)4)19-11-10-18/h14-15,18H,10-13H2,1-7H3
InChIKeyFQQUTQNILSNLHF-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol?
The IUPAC name of 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol (CID 90718832) is 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol.
What is the SMILES notation for 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol?
The canonical SMILES for 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol is CC(C)CC(C)(C)C#CC(C)(CC(C)C)OCCO.
What is the InChIKey of 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol?
The InChIKey is FQQUTQNILSNLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-14(2)12-16(5,6)8-9-17(7,13-15(3)4)19-11-10-18/h14-15,18H,10-13H2,1-7H3.
What are the key properties of 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol?
2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol has a molecular weight of 268.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol is sourced from PubChem (CID 90718832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).