1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene

C18H24 — CID 144746927

IUPAC1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene
SMILESC/C=C\C(=C/C)C1(C)CC(C)(C)c2ccccc21
InChIInChI=1S/C18H24/c1-6-10-14(7-2)18(5)13-17(3,4)15-11-8-9-12-16(15)18/h6-12H,13H2,1-5H3/b10-6-,14-7+
InChIKeyGDJDWEALMXLDTC-MKIMEMLSSA-N
MW240.39 g/mol
LogP5.15
Rot. Bonds2

About 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene

1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene (PubChem CID 144746927) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene
PubChem CID144746927
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene
SMILESC/C=C\C(=C/C)C1(C)CC(C)(C)c2ccccc21
InChIInChI=1S/C18H24/c1-6-10-14(7-2)18(5)13-17(3,4)15-11-8-9-12-16(15)18/h6-12H,13H2,1-5H3/b10-6-,14-7+
InChIKeyGDJDWEALMXLDTC-MKIMEMLSSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene (CID 144746927) is 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene is C/C=C\C(=C/C)C1(C)CC(C)(C)c2ccccc21.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene?
The InChIKey is GDJDWEALMXLDTC-MKIMEMLSSA-N. The full InChI is InChI=1S/C18H24/c1-6-10-14(7-2)18(5)13-17(3,4)15-11-8-9-12-16(15)18/h6-12H,13H2,1-5H3/b10-6-,14-7+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene?
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene has a molecular weight of 240.39 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,3-trimethyl-2H-indene is sourced from PubChem (CID 144746927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).