4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene

C20H28 — CID 19606735

IUPAC4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene
SMILESCCCCC1(C)CCC(C)(C2=CC=CC2)C2=C1C=CC2
InChIInChI=1S/C20H28/c1-4-5-13-19(2)14-15-20(3,16-9-6-7-10-16)18-12-8-11-17(18)19/h6-9,11H,4-5,10,12-15H2,1-3H3
InChIKeyFBXXQEKOQWGBPB-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.13
Rot. Bonds4

About 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene

4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene (PubChem CID 19606735) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene.

Molecular Properties

Compound Name4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene
PubChem CID19606735
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene
SMILESCCCCC1(C)CCC(C)(C2=CC=CC2)C2=C1C=CC2
InChIInChI=1S/C20H28/c1-4-5-13-19(2)14-15-20(3,16-9-6-7-10-16)18-12-8-11-17(18)19/h6-9,11H,4-5,10,12-15H2,1-3H3
InChIKeyFBXXQEKOQWGBPB-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene?
The IUPAC name of 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene (CID 19606735) is 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene.
What is the SMILES notation for 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene?
The canonical SMILES for 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene is CCCCC1(C)CCC(C)(C2=CC=CC2)C2=C1C=CC2.
What is the InChIKey of 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene?
The InChIKey is FBXXQEKOQWGBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-4-5-13-19(2)14-15-20(3,16-9-6-7-10-16)18-12-8-11-17(18)19/h6-9,11H,4-5,10,12-15H2,1-3H3.
What are the key properties of 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene?
4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene has a molecular weight of 268.44 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-7-cyclopenta-1,3-dien-1-yl-4,7-dimethyl-5,6-dihydro-1H-indene is sourced from PubChem (CID 19606735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).