2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol

C15H26O5 — CID 57276736

IUPAC2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol
SMILESOCCOCCOCC1C2CCC(C2)C1C1OCCO1
InChIInChI=1S/C15H26O5/c16-3-4-17-5-6-18-10-13-11-1-2-12(9-11)14(13)15-19-7-8-20-15/h11-16H,1-10H2
InChIKeyZYAQFAIDUTUSRL-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.05
Rot. Bonds8

About 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol

2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol (PubChem CID 57276736) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol
PubChem CID57276736
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol
SMILESOCCOCCOCC1C2CCC(C2)C1C1OCCO1
InChIInChI=1S/C15H26O5/c16-3-4-17-5-6-18-10-13-11-1-2-12(9-11)14(13)15-19-7-8-20-15/h11-16H,1-10H2
InChIKeyZYAQFAIDUTUSRL-UHFFFAOYSA-N
XLogP1.05
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol (CID 57276736) is 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol is OCCOCCOCC1C2CCC(C2)C1C1OCCO1.
What is the InChIKey of 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol?
The InChIKey is ZYAQFAIDUTUSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c16-3-4-17-5-6-18-10-13-11-1-2-12(9-11)14(13)15-19-7-8-20-15/h11-16H,1-10H2.
What are the key properties of 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol?
2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol has a molecular weight of 286.37 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol is sourced from PubChem (CID 57276736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).