5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene

C15H22 — CID 174898329

IUPAC5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene
SMILESCCCC=C1C(=CCCC)C2C=CC1C2
InChIInChI=1S/C15H22/c1-3-5-7-14-12-9-10-13(11-12)15(14)8-6-4-2/h7-10,12-13H,3-6,11H2,1-2H3
InChIKeyCYVLDEXPAFAOAC-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.65
Rot. Bonds4

About 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene

5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene (PubChem CID 174898329) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene
PubChem CID174898329
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene
SMILESCCCC=C1C(=CCCC)C2C=CC1C2
InChIInChI=1S/C15H22/c1-3-5-7-14-12-9-10-13(11-12)15(14)8-6-4-2/h7-10,12-13H,3-6,11H2,1-2H3
InChIKeyCYVLDEXPAFAOAC-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.65
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

5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene
CID 141101625
5,6-di(butylidene)cyclohex-2-ene-1,4-dicarboxylic acid
CID 173411397
3-butylidenecyclopropene
CID 91215868
1,4-di(butylidene)cyclohexane
CID 175542706
5-butylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ol
CID 71336497
(1R,3Z,4R)-3-butylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 98103201
(1Z,2E)-1,2-di(butylidene)cyclopentane
CID 177483288
2-butylidenebicyclo[2.2.1]heptane
CID 548869
tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane
CID 102472548
(3E)-3-butylidene-1-methylcyclopentene
CID 11094678
4-butylidenepiperidine
CID 14966659
trimethyl-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)silane
CID 71362852

Frequently Asked Questions

What is the IUPAC name of 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene (CID 174898329) is 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene is CCCC=C1C(=CCCC)C2C=CC1C2.
What is the InChIKey of 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene?
The InChIKey is CYVLDEXPAFAOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-3-5-7-14-12-9-10-13(11-12)15(14)8-6-4-2/h7-10,12-13H,3-6,11H2,1-2H3.
What are the key properties of 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene?
5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene has a molecular weight of 202.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 174898329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).