1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene

C30H46 — CID 143326915

IUPAC1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene
SMILESCC.CCC.CCC(C)(C)c1ccccc1C1=CC=CC1.Cc1cccc(C)c1C
InChIInChI=1S/C16H20.C9H12.C3H8.C2H6/c1-4-16(2,3)15-12-8-7-11-14(15)13-9-5-6-10-13;1-7-5-4-6-8(2)9(7)3;1-3-2;1-2/h5-9,11-12H,4,10H2,1-3H3;4-6H,1-3H3;3H2,1-2H3;1-2H3
InChIKeyGYMBJGDJXJYIMS-UHFFFAOYSA-N
MW406.70 g/mol
LogP9.77
Rot. Bonds3

About 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene

1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene (PubChem CID 143326915) has the molecular formula C30H46 and a molecular weight of 406.70 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene
PubChem CID143326915
Molecular FormulaC30H46
Molecular Weight406.70 g/mol
Exact Mass406.36
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene
SMILESCC.CCC.CCC(C)(C)c1ccccc1C1=CC=CC1.Cc1cccc(C)c1C
InChIInChI=1S/C16H20.C9H12.C3H8.C2H6/c1-4-16(2,3)15-12-8-7-11-14(15)13-9-5-6-10-13;1-7-5-4-6-8(2)9(7)3;1-3-2;1-2/h5-9,11-12H,4,10H2,1-3H3;4-6H,1-3H3;3H2,1-2H3;1-2H3
InChIKeyGYMBJGDJXJYIMS-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene (CID 143326915) is 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene is CC.CCC.CCC(C)(C)c1ccccc1C1=CC=CC1.Cc1cccc(C)c1C.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene?
The InChIKey is GYMBJGDJXJYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.C9H12.C3H8.C2H6/c1-4-16(2,3)15-12-8-7-11-14(15)13-9-5-6-10-13;1-7-5-4-6-8(2)9(7)3;1-3-2;1-2/h5-9,11-12H,4,10H2,1-3H3;4-6H,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene?
1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene has a molecular weight of 406.70 g/mol, XLogP of 9.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene is sourced from PubChem (CID 143326915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).