2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol

C18H34O4 — CID 58463274

IUPAC2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol
SMILESCCCCCC(C#CCC(CCCC)OCCO)OCCO
InChIInChI=1S/C18H34O4/c1-3-5-7-10-18(22-16-14-20)12-8-11-17(9-6-4-2)21-15-13-19/h17-20H,3-7,9-11,13-16H2,1-2H3
InChIKeyXBZFMXBGMCVSIP-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.91
Rot. Bonds14

About 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol

2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol (PubChem CID 58463274) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol.

Molecular Properties

Compound Name2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol
PubChem CID58463274
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol
SMILESCCCCCC(C#CCC(CCCC)OCCO)OCCO
InChIInChI=1S/C18H34O4/c1-3-5-7-10-18(22-16-14-20)12-8-11-17(9-6-4-2)21-15-13-19/h17-20H,3-7,9-11,13-16H2,1-2H3
InChIKeyXBZFMXBGMCVSIP-UHFFFAOYSA-N
XLogP2.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-docosan-10-yloxyethanol
CID 173141834
2-(2-methylnonan-4-yloxy)ethanol
CID 142712556
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
2-(1-aminohexan-2-yloxy)ethanol
CID 103376898
5-docosan-5-yloxypentan-1-ol
CID 139884775
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
12-butoxyoctadecan-1-ol
CID 139752074
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172771806
2-[2-(1-hydroxydecan-2-yloxy)ethoxy]decan-1-ol
CID 10022312
2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172858925
2-dodecoxytridecan-1-ol
CID 23171962

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol?
The IUPAC name of 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol (CID 58463274) is 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol.
What is the SMILES notation for 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol?
The canonical SMILES for 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol is CCCCCC(C#CCC(CCCC)OCCO)OCCO.
What is the InChIKey of 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol?
The InChIKey is XBZFMXBGMCVSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-3-5-7-10-18(22-16-14-20)12-8-11-17(9-6-4-2)21-15-13-19/h17-20H,3-7,9-11,13-16H2,1-2H3.
What are the key properties of 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol?
2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol has a molecular weight of 314.47 g/mol, XLogP of 2.91, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol is sourced from PubChem (CID 58463274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).