1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene

C22H38 — CID 90880331

IUPAC1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene
SMILESCCC(C)(CC)c1c(C)c(C)c(C)c(C)c1C(C)(CC)CC
InChIInChI=1S/C22H38/c1-11-21(9,12-2)19-17(7)15(5)16(6)18(8)20(19)22(10,13-3)14-4/h11-14H2,1-10H3
InChIKeyFWSGNLAVIFPEJK-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.08
Rot. Bonds6

About 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene

1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene (PubChem CID 90880331) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene
PubChem CID90880331
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene
SMILESCCC(C)(CC)c1c(C)c(C)c(C)c(C)c1C(C)(CC)CC
InChIInChI=1S/C22H38/c1-11-21(9,12-2)19-17(7)15(5)16(6)18(8)20(19)22(10,13-3)14-4/h11-14H2,1-10H3
InChIKeyFWSGNLAVIFPEJK-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene?
The IUPAC name of 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene (CID 90880331) is 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene?
The canonical SMILES for 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene is CCC(C)(CC)c1c(C)c(C)c(C)c(C)c1C(C)(CC)CC.
What is the InChIKey of 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene?
The InChIKey is FWSGNLAVIFPEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-11-21(9,12-2)19-17(7)15(5)16(6)18(8)20(19)22(10,13-3)14-4/h11-14H2,1-10H3.
What are the key properties of 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene?
1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene has a molecular weight of 302.55 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene is sourced from PubChem (CID 90880331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).