4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene

C19H22 — CID 23590991

IUPAC4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene
SMILESCC1=C(C)C(Cc2cccc3c2C=CC3)C(C)=C1C
InChIInChI=1S/C19H22/c1-12-13(2)15(4)19(14(12)3)11-17-9-5-7-16-8-6-10-18(16)17/h5-7,9-10,19H,8,11H2,1-4H3
InChIKeyXKWNHSYMSZBIHX-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.10
Rot. Bonds2

About 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene

4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene (PubChem CID 23590991) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene.

Molecular Properties

Compound Name4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene
PubChem CID23590991
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene
SMILESCC1=C(C)C(Cc2cccc3c2C=CC3)C(C)=C1C
InChIInChI=1S/C19H22/c1-12-13(2)15(4)19(14(12)3)11-17-9-5-7-16-8-6-10-18(16)17/h5-7,9-10,19H,8,11H2,1-4H3
InChIKeyXKWNHSYMSZBIHX-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-propyl-1H-indene
CID 18314956
4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene
CID 159834220
4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[2-(1H-inden-4-yl)propan-2-yl]-2,4,5,6,7,8-hexahydroazulene
CID 157481763
ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate
CID 143603022
1H-inden-4-amine;methanamine
CID 174766313
4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 142734727
2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 23571636
lithium;hydride;4-(2-methylphenyl)-1H-indene
CID 175034488
1-(1H-inden-4-yl)-2-methylnaphthalene
CID 57037744
3-(1H-inden-4-yl)cyclobutan-1-ol
CID 176717731
1-[2,4-di(cyclopenta-1,3-dien-1-yl)cyclopentyl]-3-(1H-inden-4-yl)propan-1-one
CID 168831082
4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene
CID 67527926

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene?
The IUPAC name of 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene (CID 23590991) is 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene.
What is the SMILES notation for 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene?
The canonical SMILES for 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene is CC1=C(C)C(Cc2cccc3c2C=CC3)C(C)=C1C.
What is the InChIKey of 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene?
The InChIKey is XKWNHSYMSZBIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-12-13(2)15(4)19(14(12)3)11-17-9-5-7-16-8-6-10-18(16)17/h5-7,9-10,19H,8,11H2,1-4H3.
What are the key properties of 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene?
4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene has a molecular weight of 250.38 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene is sourced from PubChem (CID 23590991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).