5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene

C18H28O — CID 156571576

IUPAC5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCOCCC1CC2CCC1C2
InChIInChI=1S/C18H28O/c1-3-15-9-13(1)11-17(15)5-7-19-8-6-18-12-14-2-4-16(18)10-14/h1,3,13-18H,2,4-12H2
InChIKeyTUHUQIXENUOJTB-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.43
Rot. Bonds6

About 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene

5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 156571576) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene
PubChem CID156571576
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCOCCC1CC2CCC1C2
InChIInChI=1S/C18H28O/c1-3-15-9-13(1)11-17(15)5-7-19-8-6-18-12-14-2-4-16(18)10-14/h1,3,13-18H,2,4-12H2
InChIKeyTUHUQIXENUOJTB-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.43
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-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane
CID 140777498
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-bicyclo[2.2.1]hept-5-enylmethyl bicyclo[2.2.1]heptane-2-carboxylate
CID 66902864
3-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethoxymethyl]-3-ethyloxetane
CID 68983346
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 124731696
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 58241645
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene (CID 156571576) is 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2CCOCCC1CC2CCC1C2.
What is the InChIKey of 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is TUHUQIXENUOJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-15-9-13(1)11-17(15)5-7-19-8-6-18-12-14-2-4-16(18)10-14/h1,3,13-18H,2,4-12H2.
What are the key properties of 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene?
5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 260.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 156571576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).