2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol

C24H46O5 — CID 14877798

IUPAC2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol
SMILESCC#CCCCCCCCCCCCCCOCC(COCCOCCO)OC
InChIInChI=1S/C24H46O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28-22-24(26-2)23-29-21-20-27-19-17-25/h24-25H,5-23H2,1-2H3
InChIKeyKCWWIAWNXRWCMU-UHFFFAOYSA-N
MW414.63 g/mol
LogP4.75
Rot. Bonds23

About 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol

2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol (PubChem CID 14877798) has the molecular formula C24H46O5 and a molecular weight of 414.63 g/mol. Its IUPAC name is 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol
PubChem CID14877798
Molecular FormulaC24H46O5
Molecular Weight414.63 g/mol
Exact Mass414.33
IUPAC Name2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol
SMILESCC#CCCCCCCCCCCCCCOCC(COCCOCCO)OC
InChIInChI=1S/C24H46O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28-22-24(26-2)23-29-21-20-27-19-17-25/h24-25H,5-23H2,1-2H3
InChIKeyKCWWIAWNXRWCMU-UHFFFAOYSA-N
XLogP4.75
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808
2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol (CID 14877798) is 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol is CC#CCCCCCCCCCCCCCOCC(COCCOCCO)OC.
What is the InChIKey of 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol?
The InChIKey is KCWWIAWNXRWCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28-22-24(26-2)23-29-21-20-27-19-17-25/h24-25H,5-23H2,1-2H3.
What are the key properties of 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol?
2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol has a molecular weight of 414.63 g/mol, XLogP of 4.75, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hexadec-14-ynoxy-2-methoxypropoxy)ethoxy]ethanol is sourced from PubChem (CID 14877798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).