5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene

C25H38 — CID 59970599

IUPAC5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene
SMILESC#CCC/C(C)=C(/C)C(C)(C)C(C)(C)/C(=C\C)CC1CC2C=CC1C2
InChIInChI=1S/C25H38/c1-9-11-12-18(3)19(4)24(5,6)25(7,8)23(10-2)17-22-16-20-13-14-21(22)15-20/h1,10,13-14,20-22H,11-12,15-17H2,2-8H3/b19-18-,23-10-
InChIKeyPRXBJQLFTOEJJQ-BRBHNEPWSA-N
MW338.58 g/mol
LogP7.34
Rot. Bonds7

About 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene

5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 59970599) has the molecular formula C25H38 and a molecular weight of 338.58 g/mol. Its IUPAC name is 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene
PubChem CID59970599
Molecular FormulaC25H38
Molecular Weight338.58 g/mol
Exact Mass338.30
IUPAC Name5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene
SMILESC#CCC/C(C)=C(/C)C(C)(C)C(C)(C)/C(=C\C)CC1CC2C=CC1C2
InChIInChI=1S/C25H38/c1-9-11-12-18(3)19(4)24(5,6)25(7,8)23(10-2)17-22-16-20-13-14-21(22)15-20/h1,10,13-14,20-22H,11-12,15-17H2,2-8H3/b19-18-,23-10-
InChIKeyPRXBJQLFTOEJJQ-BRBHNEPWSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene
CID 54543469
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
CID 58388555
3-(2-bicyclo[2.2.1]hept-5-enyl)-2-oxopropanal
CID 57147896
1-(2-bicyclo[2.2.1]hept-5-enyl)pentan-2-one
CID 59748221
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 102120201
5-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-methylpent-3-yn-2-ol
CID 98153361
2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 172716812
10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
CID 59748068
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
2-bicyclo[2.2.1]hept-5-enylmethyl(dihydroxy)silane
CID 71356096

Frequently Asked Questions

What is the IUPAC name of 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 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) is 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene is C#CCC/C(C)=C(/C)C(C)(C)C(C)(C)/C(=C\C)CC1CC2C=CC1C2.
What is the InChIKey of 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is PRXBJQLFTOEJJQ-BRBHNEPWSA-N. The full InChI is InChI=1S/C25H38/c1-9-11-12-18(3)19(4)24(5,6)25(7,8)23(10-2)17-22-16-20-13-14-21(22)15-20/h1,10,13-14,20-22H,11-12,15-17H2,2-8H3/b19-18-,23-10-.
What are the key properties of 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene?
5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 338.58 g/mol, XLogP of 7.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z,2Z)-2-ethylidene-3,3,4,4,5,6-hexamethyldec-5-en-9-ynyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 59970599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).