1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene

C14H22 — CID 174974063

IUPAC1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene
SMILESC=CC(CC)CCC12C=CC(CC1)C2
InChIInChI=1S/C14H22/c1-3-12(4-2)5-8-14-9-6-13(11-14)7-10-14/h3,6,9,12-13H,1,4-5,7-8,10-11H2,2H3
InChIKeyVVIYETKLIBIAEZ-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds5

About 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene

1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 174974063) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene
PubChem CID174974063
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene
SMILESC=CC(CC)CCC12C=CC(CC1)C2
InChIInChI=1S/C14H22/c1-3-12(4-2)5-8-14-9-6-13(11-14)7-10-14/h3,6,9,12-13H,1,4-5,7-8,10-11H2,2H3
InChIKeyVVIYETKLIBIAEZ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-hydroxy-silylsilane
CID 173085538
[3-(1-bicyclo[2.2.1]hept-2-enyl)-1,1-dichloropropyl]silane
CID 173337346
1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane
CID 141272165
bicyclo[2.2.1]hept-2-ene;1-butylbicyclo[2.2.1]hept-2-ene;2-(methoxymethyl)oxirane
CID 86613231
3-(1-bicyclo[2.2.1]hept-2-enyl)propyl 2-methylprop-2-eneperoxoate
CID 176907341
methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate
CID 139688530
2-(1-bicyclo[2.2.1]hept-2-enylmethoxymethyl)-3-ethyloxetane
CID 91253234
1-(fluoromethyl)bicyclo[2.2.2]oct-2-ene
CID 13153838
1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dichlorobutan-2-one
CID 87441997
3-ethylhept-1-ene
CID 12923943
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
(1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate
CID 155012143

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene (CID 174974063) is 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene is C=CC(CC)CCC12C=CC(CC1)C2.
What is the InChIKey of 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is VVIYETKLIBIAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-12(4-2)5-8-14-9-6-13(11-14)7-10-14/h3,6,9,12-13H,1,4-5,7-8,10-11H2,2H3.
What are the key properties of 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene?
1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpent-4-enyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 174974063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).