5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane

C24H42 — CID 59970602

IUPAC5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCC=C(CC1CC2CC1C(C)C2C)C(C)(C)C(C)(C)C(C)=C(C)C
InChIInChI=1S/C24H42/c1-11-21(24(9,10)23(7,8)18(6)15(2)3)13-20-12-19-14-22(20)17(5)16(19)4/h11,16-17,19-20,22H,12-14H2,1-10H3
InChIKeyGOBSCUBPNMOJGV-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.66
Rot. Bonds5

About 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane

5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane (PubChem CID 59970602) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane
PubChem CID59970602
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane
SMILESCC=C(CC1CC2CC1C(C)C2C)C(C)(C)C(C)(C)C(C)=C(C)C
InChIInChI=1S/C24H42/c1-11-21(24(9,10)23(7,8)18(6)15(2)3)13-20-12-19-14-22(20)17(5)16(19)4/h11,16-17,19-20,22H,12-14H2,1-10H3
InChIKeyGOBSCUBPNMOJGV-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.66
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-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol
CID 23405415
3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol
CID 58445668
trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
CID 23381998
[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane
CID 22887496
2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane
CID 58205815
5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene
CID 59970599
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560908
butane;5-[(2Z)-2-ethylidene-3,3,4,4-tetramethylpentyl]tetracyclo[6.2.1.02,7.03,6]undecane-9-carbaldehyde;propane
CID 143331387
tert-butyl 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 91081182
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
CID 122451932
tert-butyl [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane
CID 159451098
[(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate
CID 70995611

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane (CID 59970602) is 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane is CC=C(CC1CC2CC1C(C)C2C)C(C)(C)C(C)(C)C(C)=C(C)C.
What is the InChIKey of 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane?
The InChIKey is GOBSCUBPNMOJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-11-21(24(9,10)23(7,8)18(6)15(2)3)13-20-12-19-14-22(20)17(5)16(19)4/h11,16-17,19-20,22H,12-14H2,1-10H3.
What are the key properties of 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane?
5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane has a molecular weight of 330.60 g/mol, XLogP of 7.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 59970602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).