7-butyltricyclo[4.2.2.02,5]dec-7-ene

C14H22 — CID 561940

IUPAC7-butyltricyclo[4.2.2.02,5]dec-7-ene
SMILESCCCCC1=CC2CCC1C1CCC21
InChIInChI=1S/C14H22/c1-2-3-4-10-9-11-5-6-12(10)14-8-7-13(11)14/h9,11-14H,2-8H2,1H3
InChIKeyRIGCYDPIHFWTCW-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds3

About 7-butyltricyclo[4.2.2.02,5]dec-7-ene

7-butyltricyclo[4.2.2.02,5]dec-7-ene (PubChem CID 561940) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 7-butyltricyclo[4.2.2.02,5]dec-7-ene.

Molecular Properties

Compound Name7-butyltricyclo[4.2.2.02,5]dec-7-ene
PubChem CID561940
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name7-butyltricyclo[4.2.2.02,5]dec-7-ene
SMILESCCCCC1=CC2CCC1C1CCC21
InChIInChI=1S/C14H22/c1-2-3-4-10-9-11-5-6-12(10)14-8-7-13(11)14/h9,11-14H,2-8H2,1H3
InChIKeyRIGCYDPIHFWTCW-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-butyltricyclo[4.2.2.02,5]dec-7-ene?
The IUPAC name of 7-butyltricyclo[4.2.2.02,5]dec-7-ene (CID 561940) is 7-butyltricyclo[4.2.2.02,5]dec-7-ene.
What is the SMILES notation for 7-butyltricyclo[4.2.2.02,5]dec-7-ene?
The canonical SMILES for 7-butyltricyclo[4.2.2.02,5]dec-7-ene is CCCCC1=CC2CCC1C1CCC21.
What is the InChIKey of 7-butyltricyclo[4.2.2.02,5]dec-7-ene?
The InChIKey is RIGCYDPIHFWTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-4-10-9-11-5-6-12(10)14-8-7-13(11)14/h9,11-14H,2-8H2,1H3.
What are the key properties of 7-butyltricyclo[4.2.2.02,5]dec-7-ene?
7-butyltricyclo[4.2.2.02,5]dec-7-ene has a molecular weight of 190.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyltricyclo[4.2.2.02,5]dec-7-ene is sourced from PubChem (CID 561940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).