2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane

C16H26O — CID 126481118

IUPAC2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane
SMILESC1=CC2CC1CC2CCCCCCC1CCO1
InChIInChI=1S/C16H26O/c1(2-4-6-16-9-10-17-16)3-5-14-11-13-7-8-15(14)12-13/h7-8,13-16H,1-6,9-12H2
InChIKeyGRCQOWQRPMJYSD-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.33
Rot. Bonds7

About 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane

2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane (PubChem CID 126481118) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane.

Molecular Properties

Compound Name2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane
PubChem CID126481118
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane
SMILESC1=CC2CC1CC2CCCCCCC1CCO1
InChIInChI=1S/C16H26O/c1(2-4-6-16-9-10-17-16)3-5-14-11-13-7-8-15(14)12-13/h7-8,13-16H,1-6,9-12H2
InChIKeyGRCQOWQRPMJYSD-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentoxymethyl]oxolane
CID 23555965
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
5-(6,6,6-trifluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 135202055
8-(2-bicyclo[2.2.1]hept-5-enyl)octanal
CID 59748238
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxirane
CID 59717873
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
5-[6-[4-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]-2,5-dimethylphenyl]hexyl]bicyclo[2.2.1]hept-2-ene
CID 140798145

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane?
The IUPAC name of 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane (CID 126481118) is 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane.
What is the SMILES notation for 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane?
The canonical SMILES for 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane is C1=CC2CC1CC2CCCCCCC1CCO1.
What is the InChIKey of 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane?
The InChIKey is GRCQOWQRPMJYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1(2-4-6-16-9-10-17-16)3-5-14-11-13-7-8-15(14)12-13/h7-8,13-16H,1-6,9-12H2.
What are the key properties of 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane?
2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane has a molecular weight of 234.38 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane is sourced from PubChem (CID 126481118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).