(2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

C26H26 — CID 142906496

IUPAC(2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCC/C(=C1/c2ccccc2CCc2cc(C)ccc21)c1cccc(C)c1
InChIInChI=1S/C26H26/c1-4-23(21-10-7-8-18(2)16-21)26-24-11-6-5-9-20(24)13-14-22-17-19(3)12-15-25(22)26/h5-12,15-17H,4,13-14H2,1-3H3/b26-23+
InChIKeyCXBVSQJOGJBIBM-WNAAXNPUSA-N
MW338.49 g/mol
LogP6.77
Rot. Bonds2

About (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

(2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (PubChem CID 142906496) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name(2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
PubChem CID142906496
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name(2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCC/C(=C1/c2ccccc2CCc2cc(C)ccc21)c1cccc(C)c1
InChIInChI=1S/C26H26/c1-4-23(21-10-7-8-18(2)16-21)26-24-11-6-5-9-20(24)13-14-22-17-19(3)12-15-25(22)26/h5-12,15-17H,4,13-14H2,1-3H3/b26-23+
InChIKeyCXBVSQJOGJBIBM-WNAAXNPUSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The IUPAC name of (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (CID 142906496) is (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
What is the SMILES notation for (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The canonical SMILES for (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is CC/C(=C1/c2ccccc2CCc2cc(C)ccc21)c1cccc(C)c1.
What is the InChIKey of (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The InChIKey is CXBVSQJOGJBIBM-WNAAXNPUSA-N. The full InChI is InChI=1S/C26H26/c1-4-23(21-10-7-8-18(2)16-21)26-24-11-6-5-9-20(24)13-14-22-17-19(3)12-15-25(22)26/h5-12,15-17H,4,13-14H2,1-3H3/b26-23+.
What are the key properties of (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
(2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene has a molecular weight of 338.49 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-methyl-2-[1-(3-methylphenyl)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 142906496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).