2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene

C26H38 — CID 91429357

IUPAC2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene
SMILESC=CC1=C(C=C)C(CC(C)C)(CC(CC)CCCC)c2cc(C)ccc21
InChIInChI=1S/C26H38/c1-8-12-13-21(9-2)18-26(17-19(5)6)24(11-4)22(10-3)23-15-14-20(7)16-25(23)26/h10-11,14-16,19,21H,3-4,8-9,12-13,17-18H2,1-2,5-7H3
InChIKeyURNPEJWQVLFGNF-UHFFFAOYSA-N
MW350.59 g/mol
LogP8.02
Rot. Bonds10

About 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene

2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene (PubChem CID 91429357) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene
PubChem CID91429357
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene
SMILESC=CC1=C(C=C)C(CC(C)C)(CC(CC)CCCC)c2cc(C)ccc21
InChIInChI=1S/C26H38/c1-8-12-13-21(9-2)18-26(17-19(5)6)24(11-4)22(10-3)23-15-14-20(7)16-25(23)26/h10-11,14-16,19,21H,3-4,8-9,12-13,17-18H2,1-2,5-7H3
InChIKeyURNPEJWQVLFGNF-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methylfluoren-9-one
CID 20751967
9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene
CID 58833536
4-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 90352299
9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene
CID 140661828
2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
CID 86093242
2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene
CID 158033526
9,9-bis(2-ethylhexyl)-2,7-bis[(E)-2-(4-methylsulfanylphenyl)ethenyl]fluorene
CID 58906047
2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
CID 59378942
5-[5-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500506
2-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-7-methyl-9,9-dipropylfluorene
CID 58012931
2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-5-[9-(5-methyl-1,3,4-oxadiazol-2-yl)perylen-3-yl]-1,3,4-oxadiazole
CID 58734357

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene?
The IUPAC name of 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene (CID 91429357) is 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene.
What is the SMILES notation for 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene?
The canonical SMILES for 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene is C=CC1=C(C=C)C(CC(C)C)(CC(CC)CCCC)c2cc(C)ccc21.
What is the InChIKey of 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene?
The InChIKey is URNPEJWQVLFGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38/c1-8-12-13-21(9-2)18-26(17-19(5)6)24(11-4)22(10-3)23-15-14-20(7)16-25(23)26/h10-11,14-16,19,21H,3-4,8-9,12-13,17-18H2,1-2,5-7H3.
What are the key properties of 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene?
2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene has a molecular weight of 350.59 g/mol, XLogP of 8.02, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene is sourced from PubChem (CID 91429357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).