2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane

C17H28O2 — CID 23555965

IUPAC2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane
SMILESC1=CC2CC1CC2CCCCCOCC1CCCO1
InChIInChI=1S/C17H28O2/c1(3-9-18-13-17-6-4-10-19-17)2-5-15-11-14-7-8-16(15)12-14/h7-8,14-17H,1-6,9-13H2
InChIKeyGETAXSXTYFZLDA-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.95
Rot. Bonds8

About 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane

2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane (PubChem CID 23555965) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane.

Molecular Properties

Compound Name2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane
PubChem CID23555965
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane
SMILESC1=CC2CC1CC2CCCCCOCC1CCCO1
InChIInChI=1S/C17H28O2/c1(3-9-18-13-17-6-4-10-19-17)2-5-15-11-14-7-8-16(15)12-14/h7-8,14-17H,1-6,9-13H2
InChIKeyGETAXSXTYFZLDA-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 99702172
2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane
CID 126481118
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
7-(2-bicyclo[2.2.1]hept-5-enyl)heptyl acetate
CID 59748148
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 70640373
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentan-1-ol
CID 79564499
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543
3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane
CID 23555976
4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidine
CID 26192445

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane?
The IUPAC name of 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane (CID 23555965) is 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane.
What is the SMILES notation for 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane?
The canonical SMILES for 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane is C1=CC2CC1CC2CCCCCOCC1CCCO1.
What is the InChIKey of 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane?
The InChIKey is GETAXSXTYFZLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1(3-9-18-13-17-6-4-10-19-17)2-5-15-11-14-7-8-16(15)12-14/h7-8,14-17H,1-6,9-13H2.
What are the key properties of 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane?
2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane has a molecular weight of 264.41 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane is sourced from PubChem (CID 23555965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).