5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol

C17H30O5 — CID 18710506

IUPAC5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol
SMILESOCCCCCOC(OCCCCCO)C1CC2C=CC1O2
InChIInChI=1S/C17H30O5/c18-9-3-1-5-11-20-17(21-12-6-2-4-10-19)15-13-14-7-8-16(15)22-14/h7-8,14-19H,1-6,9-13H2
InChIKeyMHQTYWYKLVLHDK-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.01
Rot. Bonds13

About 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol

5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol (PubChem CID 18710506) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol
PubChem CID18710506
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Name5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol
SMILESOCCCCCOC(OCCCCCO)C1CC2C=CC1O2
InChIInChI=1S/C17H30O5/c18-9-3-1-5-11-20-17(21-12-6-2-4-10-19)15-13-14-7-8-16(15)22-14/h7-8,14-19H,1-6,9-13H2
InChIKeyMHQTYWYKLVLHDK-UHFFFAOYSA-N
XLogP2.01
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol 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 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol?
The IUPAC name of 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol (CID 18710506) is 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol.
What is the SMILES notation for 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol?
The canonical SMILES for 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol is OCCCCCOC(OCCCCCO)C1CC2C=CC1O2.
What is the InChIKey of 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol?
The InChIKey is MHQTYWYKLVLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5/c18-9-3-1-5-11-20-17(21-12-6-2-4-10-19)15-13-14-7-8-16(15)22-14/h7-8,14-19H,1-6,9-13H2.
What are the key properties of 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol?
5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol has a molecular weight of 314.42 g/mol, XLogP of 2.01, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol is sourced from PubChem (CID 18710506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).