2-(14-cyclopentyltetradec-13-ynoxy)ethanol

C21H38O2 — CID 162744238

IUPAC2-(14-cyclopentyltetradec-13-ynoxy)ethanol
SMILESOCCOCCCCCCCCCCCCC#CC1CCCC1
InChIInChI=1S/C21H38O2/c22-18-20-23-19-14-10-8-6-4-2-1-3-5-7-9-11-15-21-16-12-13-17-21/h21-22H,1-10,12-14,16-20H2
InChIKeyBAKNEOACENVKBC-UHFFFAOYSA-N
MW322.53 g/mol
LogP5.48
Rot. Bonds14

About 2-(14-cyclopentyltetradec-13-ynoxy)ethanol

2-(14-cyclopentyltetradec-13-ynoxy)ethanol (PubChem CID 162744238) has the molecular formula C21H38O2 and a molecular weight of 322.53 g/mol. Its IUPAC name is 2-(14-cyclopentyltetradec-13-ynoxy)ethanol.

Molecular Properties

Compound Name2-(14-cyclopentyltetradec-13-ynoxy)ethanol
PubChem CID162744238
Molecular FormulaC21H38O2
Molecular Weight322.53 g/mol
Exact Mass322.29
IUPAC Name2-(14-cyclopentyltetradec-13-ynoxy)ethanol
SMILESOCCOCCCCCCCCCCCCC#CC1CCCC1
InChIInChI=1S/C21H38O2/c22-18-20-23-19-14-10-8-6-4-2-1-3-5-7-9-11-15-21-16-12-13-17-21/h21-22H,1-10,12-14,16-20H2
InChIKeyBAKNEOACENVKBC-UHFFFAOYSA-N
XLogP5.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.53
LogP ≤ 55.48
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

3-(13-cyclopentyltridec-12-ynoxy)propan-1-ol
CID 162744752
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-(16,16,16-trifluorohexadec-14-ynoxy)ethanol
CID 162744230
2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110
2-(15-cyclopropylpentadec-14-ynylsulfanyl)ethanol
CID 170688915
6-(4-methylcyclohexyl)hex-5-yn-1-ol
CID 140577326
2-(6-sulfanylhexoxy)ethanol
CID 88540112
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
14-(2-propan-2-yloxyethylsulfanyl)tetradec-1-ynylcyclobutane
CID 170689213
2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol
CID 14877798

Frequently Asked Questions

What is the IUPAC name of 2-(14-cyclopentyltetradec-13-ynoxy)ethanol?
The IUPAC name of 2-(14-cyclopentyltetradec-13-ynoxy)ethanol (CID 162744238) is 2-(14-cyclopentyltetradec-13-ynoxy)ethanol.
What is the SMILES notation for 2-(14-cyclopentyltetradec-13-ynoxy)ethanol?
The canonical SMILES for 2-(14-cyclopentyltetradec-13-ynoxy)ethanol is OCCOCCCCCCCCCCCCC#CC1CCCC1.
What is the InChIKey of 2-(14-cyclopentyltetradec-13-ynoxy)ethanol?
The InChIKey is BAKNEOACENVKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2/c22-18-20-23-19-14-10-8-6-4-2-1-3-5-7-9-11-15-21-16-12-13-17-21/h21-22H,1-10,12-14,16-20H2.
What are the key properties of 2-(14-cyclopentyltetradec-13-ynoxy)ethanol?
2-(14-cyclopentyltetradec-13-ynoxy)ethanol has a molecular weight of 322.53 g/mol, XLogP of 5.48, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-cyclopentyltetradec-13-ynoxy)ethanol is sourced from PubChem (CID 162744238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).