3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene

C31H36 — CID 153369602

IUPAC3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene
SMILESC=C/C=C(\C=C)c1ccccc1.C=CC1=C(/C=C\C)C(C)(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C19H24.C12H12/c1-7-9-17-15(8-2)16-11-10-14(13(3)4)12-18(16)19(17,5)6;1-3-8-11(4-2)12-9-6-5-7-10-12/h7-13H,2H2,1,3-6H3;3-10H,1-2H2/b9-7-;11-8+
InChIKeyLWVRSGRGECCIAC-CXWUCINFSA-N
MW408.63 g/mol
LogP9.06
Rot. Bonds6

About 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene

3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene (PubChem CID 153369602) has the molecular formula C31H36 and a molecular weight of 408.63 g/mol. Its IUPAC name is 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene.

Molecular Properties

Compound Name3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene
PubChem CID153369602
Molecular FormulaC31H36
Molecular Weight408.63 g/mol
Exact Mass408.28
IUPAC Name3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene
SMILESC=C/C=C(\C=C)c1ccccc1.C=CC1=C(/C=C\C)C(C)(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C19H24.C12H12/c1-7-9-17-15(8-2)16-11-10-14(13(3)4)12-18(16)19(17,5)6;1-3-8-11(4-2)12-9-6-5-7-10-12/h7-13H,2H2,1,3-6H3;3-10H,1-2H2/b9-7-;11-8+
InChIKeyLWVRSGRGECCIAC-CXWUCINFSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene 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

N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
CID 129111188
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol
CID 146669709
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide
CID 167210755
2-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
CID 142382594
1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
CID 121463230
3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene
CID 143139449
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 145331751
4-[3-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-2,6-diphenylpyrimidine
CID 134274559
2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene?
The IUPAC name of 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene (CID 153369602) is 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene.
What is the SMILES notation for 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene?
The canonical SMILES for 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene is C=C/C=C(\C=C)c1ccccc1.C=CC1=C(/C=C\C)C(C)(C)c2cc(C(C)C)ccc21.
What is the InChIKey of 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene?
The InChIKey is LWVRSGRGECCIAC-CXWUCINFSA-N. The full InChI is InChI=1S/C19H24.C12H12/c1-7-9-17-15(8-2)16-11-10-14(13(3)4)12-18(16)19(17,5)6;1-3-8-11(4-2)12-9-6-5-7-10-12/h7-13H,2H2,1,3-6H3;3-10H,1-2H2/b9-7-;11-8+.
What are the key properties of 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene?
3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene has a molecular weight of 408.63 g/mol, XLogP of 9.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene is sourced from PubChem (CID 153369602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).