6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene

C16H18 — CID 144834022

IUPAC6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene
SMILESC/C=C(C)\C=C/C1=CCc2cc(C)ccc21
InChIInChI=1S/C16H18/c1-4-12(2)5-7-14-8-9-15-11-13(3)6-10-16(14)15/h4-8,10-11H,9H2,1-3H3/b7-5-,12-4-
InChIKeyNZPXLSKJAVJDCV-WPSHAJHWSA-N
MW210.32 g/mol
LogP4.46
Rot. Bonds2

About 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene

6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene (PubChem CID 144834022) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene.

Molecular Properties

Compound Name6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene
PubChem CID144834022
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene
SMILESC/C=C(C)\C=C/C1=CCc2cc(C)ccc21
InChIInChI=1S/C16H18/c1-4-12(2)5-7-14-8-9-15-11-13(3)6-10-16(14)15/h4-8,10-11H,9H2,1-3H3/b7-5-,12-4-
InChIKeyNZPXLSKJAVJDCV-WPSHAJHWSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.46
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 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene?
The IUPAC name of 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene (CID 144834022) is 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene.
What is the SMILES notation for 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene?
The canonical SMILES for 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene is C/C=C(C)\C=C/C1=CCc2cc(C)ccc21.
What is the InChIKey of 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene?
The InChIKey is NZPXLSKJAVJDCV-WPSHAJHWSA-N. The full InChI is InChI=1S/C16H18/c1-4-12(2)5-7-14-8-9-15-11-13(3)6-10-16(14)15/h4-8,10-11H,9H2,1-3H3/b7-5-,12-4-.
What are the key properties of 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene?
6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene has a molecular weight of 210.32 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-1H-indene is sourced from PubChem (CID 144834022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).