8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane

C50H70 — CID 155639943

IUPAC8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane
SMILESCC1CC(/C=C\C2CC(/C=C\C3CC(C4CCC4C4CC(C5CCC5C)C5C6CCC6CC45)C4C=CCC34)C3C2CC2CCC23)C2C=CCC12
InChIInChI=1S/C50H70/c1-27-9-16-36(27)48-26-46(47-25-33-15-18-40(33)50(47)48)43-20-19-42(43)45-24-31(38-7-4-8-41(38)45)12-13-34-22-30(44-23-32-14-17-39(32)49(34)44)11-10-29-21-28(2)35-5-3-6-37(29)35/h3-4,6,8,10-13,27-50H,5,7,9,14-26H2,1-2H3/b11-10-,13-12-
InChIKeyRWONJFIUBPDLFG-FQEMRORKSA-N
MW671.11 g/mol
LogP12.44
Rot. Bonds7

About 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane

8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane (PubChem CID 155639943) has the molecular formula C50H70 and a molecular weight of 671.11 g/mol. Its IUPAC name is 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane.

Molecular Properties

Compound Name8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane
PubChem CID155639943
Molecular FormulaC50H70
Molecular Weight671.11 g/mol
Exact Mass670.55
IUPAC Name8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane
SMILESCC1CC(/C=C\C2CC(/C=C\C3CC(C4CCC4C4CC(C5CCC5C)C5C6CCC6CC45)C4C=CCC34)C3C2CC2CCC23)C2C=CCC12
InChIInChI=1S/C50H70/c1-27-9-16-36(27)48-26-46(47-25-33-15-18-40(33)50(47)48)43-20-19-42(43)45-24-31(38-7-4-8-41(38)45)12-13-34-22-30(44-23-32-14-17-39(32)49(34)44)11-10-29-21-28(2)35-5-3-6-37(29)35/h3-4,6,8,10-13,27-50H,5,7,9,14-26H2,1-2H3/b11-10-,13-12-
InChIKeyRWONJFIUBPDLFG-FQEMRORKSA-N
XLogP12.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.11
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane 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

1-ethenyl-3-[2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 161165849
pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
(1S,3R)-1-[(Z)-2-[(1R,3R)-3-ethyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-3-[(Z)-2-[(1S,3R)-3-[(Z)-2-[(1S,3S)-3-ethyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 176762705
1-methyl-2-[1-methyl-4-[(E)-2-[3-[(E)-2-[2-[(E)-3-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)prop-2-enyl]-3,4-bis[(E)-prop-1-enyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-6-[(E)-2-[3-[(E)-prop-1-enyl]-2-bicyclo[2.2.1]hept-5-enyl]ethenyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4,6-bis[(E)-prop-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalene;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 159823803
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-10-ene
CID 91063776
1-ethenyl-3-[(Z)-2-[4-ethenyl-2,3-bis[(E)-2-(3-ethenyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethenyl]cyclopentyl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 164775813
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592101
(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 11768627
(1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 98044947
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592098
(E)-4-[3-(2-methylprop-1-enyl)-1,2,3,3a,4,6a-hexahydropentalen-1-yl]but-3-en-1-ol
CID 156683048

Frequently Asked Questions

What is the IUPAC name of 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane?
The IUPAC name of 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane (CID 155639943) is 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane.
What is the SMILES notation for 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane?
The canonical SMILES for 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane is CC1CC(/C=C\C2CC(/C=C\C3CC(C4CCC4C4CC(C5CCC5C)C5C6CCC6CC45)C4C=CCC34)C3C2CC2CCC23)C2C=CCC12.
What is the InChIKey of 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane?
The InChIKey is RWONJFIUBPDLFG-FQEMRORKSA-N. The full InChI is InChI=1S/C50H70/c1-27-9-16-36(27)48-26-46(47-25-33-15-18-40(33)50(47)48)43-20-19-42(43)45-24-31(38-7-4-8-41(38)45)12-13-34-22-30(44-23-32-14-17-39(32)49(34)44)11-10-29-21-28(2)35-5-3-6-37(29)35/h3-4,6,8,10-13,27-50H,5,7,9,14-26H2,1-2H3/b11-10-,13-12-.
What are the key properties of 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane?
8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane has a molecular weight of 671.11 g/mol, XLogP of 12.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-10-[(Z)-2-[3-[2-[10-(2-methylcyclobutyl)-8-tricyclo[5.3.0.02,5]decanyl]cyclobutyl]-1,2,3,3a,6,6a-hexahydropentalen-1-yl]ethenyl]tricyclo[5.3.0.02,5]decane is sourced from PubChem (CID 155639943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).