2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol

C19H36O4 — CID 15003147

IUPAC2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol
SMILESCCCCCCCCCCCCC#CC(OCCO)OCCO
InChIInChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(22-17-15-20)23-18-16-21/h19-21H,2-12,15-18H2,1H3
InChIKeyOWGNMQWAEFFORQ-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.64
Rot. Bonds16

About 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol

2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol (PubChem CID 15003147) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol.

Molecular Properties

Compound Name2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol
PubChem CID15003147
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol
SMILESCCCCCCCCCCCCC#CC(OCCO)OCCO
InChIInChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(22-17-15-20)23-18-16-21/h19-21H,2-12,15-18H2,1H3
InChIKeyOWGNMQWAEFFORQ-UHFFFAOYSA-N
XLogP3.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-ethoxypentadec-2-ynoxy)butan-1-ol
CID 15003163
4-[1-(3-carboxypropoxy)non-2-ynoxy]butanoic acid
CID 15003142
ethyl 9,9-dibutoxynon-7-ynoate
CID 138520163
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
4-(1,4-dihydroxynonadec-6-yn-5-yloxy)butanoic acid
CID 88526434
non-3-yne-1,2-diol
CID 72760493
tetracos-13-yn-12-ol
CID 169488986

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol?
The IUPAC name of 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol (CID 15003147) is 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol.
What is the SMILES notation for 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol?
The canonical SMILES for 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol is CCCCCCCCCCCCC#CC(OCCO)OCCO.
What is the InChIKey of 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol?
The InChIKey is OWGNMQWAEFFORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(22-17-15-20)23-18-16-21/h19-21H,2-12,15-18H2,1H3.
What are the key properties of 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol?
2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol has a molecular weight of 328.49 g/mol, XLogP of 3.64, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol is sourced from PubChem (CID 15003147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).