3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene

C35H49P — CID 165026935

IUPAC3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.C=CCC1C(C=C)CC(/C=C\C2CC(C=C)C3C=CCC23)C1C=C.[2H]C([2H])P
InChIInChI=1S/C24H32.C10H12.CH5P/c1-5-10-22-17(6-2)15-19(21(22)8-4)13-14-20-16-18(7-3)23-11-9-12-24(20)23;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2/h5-9,11,13-14,17-24H,1-4,10,12,15-16H2;1-2,4-5,7-10H,3,6H2;2H2,1H3/b14-13-;;/i;;1D2
InChIKeyMASNKUUBZAYYCH-HYLJXCBPSA-N
MW502.76 g/mol
LogP9.25
Rot. Bonds7

About 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene

3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 165026935) has the molecular formula C35H49P and a molecular weight of 502.76 g/mol. Its IUPAC name is 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID165026935
Molecular FormulaC35H49P
Molecular Weight502.76 g/mol
Exact Mass502.37
IUPAC Name3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.C=CCC1C(C=C)CC(/C=C\C2CC(C=C)C3C=CCC23)C1C=C.[2H]C([2H])P
InChIInChI=1S/C24H32.C10H12.CH5P/c1-5-10-22-17(6-2)15-19(21(22)8-4)13-14-20-16-18(7-3)23-11-9-12-24(20)23;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2/h5-9,11,13-14,17-24H,1-4,10,12,15-16H2;1-2,4-5,7-10H,3,6H2;2H2,1H3/b14-13-;;/i;;1D2
InChIKeyMASNKUUBZAYYCH-HYLJXCBPSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.76
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene (CID 165026935) is 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene is C1=CC2C3C=CC(C3)C2C1.C=CCC1C(C=C)CC(/C=C\C2CC(C=C)C3C=CCC23)C1C=C.[2H]C([2H])P.
What is the InChIKey of 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is MASNKUUBZAYYCH-HYLJXCBPSA-N. The full InChI is InChI=1S/C24H32.C10H12.CH5P/c1-5-10-22-17(6-2)15-19(21(22)8-4)13-14-20-16-18(7-3)23-11-9-12-24(20)23;1-2-9-7-4-5-8(6-7)10(9)3-1;1-2/h5-9,11,13-14,17-24H,1-4,10,12,15-16H2;1-2,4-5,7-10H,3,6H2;2H2,1H3/b14-13-;;/i;;1D2.
What are the key properties of 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene?
3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 502.76 g/mol, XLogP of 9.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 165026935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).