1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene

C17H20 — CID 144613890

IUPAC1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene
SMILESC/C=C\C1=C(/C=C\C)C(C)c2cc(C)ccc21
InChIInChI=1S/C17H20/c1-5-7-14-13(4)17-11-12(3)9-10-16(17)15(14)8-6-2/h5-11,13H,1-4H3/b7-5-,8-6-
InChIKeyZBRJXLYJZGJEDS-SFECMWDFSA-N
MW224.35 g/mol
LogP5.02
Rot. Bonds2

About 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene

1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene (PubChem CID 144613890) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene.

Molecular Properties

Compound Name1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene
PubChem CID144613890
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene
SMILESC/C=C\C1=C(/C=C\C)C(C)c2cc(C)ccc21
InChIInChI=1S/C17H20/c1-5-7-14-13(4)17-11-12(3)9-10-16(17)15(14)8-6-2/h5-11,13H,1-4H3/b7-5-,8-6-
InChIKeyZBRJXLYJZGJEDS-SFECMWDFSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene?
The IUPAC name of 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene (CID 144613890) is 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene.
What is the SMILES notation for 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene?
The canonical SMILES for 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene is C/C=C\C1=C(/C=C\C)C(C)c2cc(C)ccc21.
What is the InChIKey of 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene?
The InChIKey is ZBRJXLYJZGJEDS-SFECMWDFSA-N. The full InChI is InChI=1S/C17H20/c1-5-7-14-13(4)17-11-12(3)9-10-16(17)15(14)8-6-2/h5-11,13H,1-4H3/b7-5-,8-6-.
What are the key properties of 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene?
1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene has a molecular weight of 224.35 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene is sourced from PubChem (CID 144613890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).