1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene

C20H34 — CID 157426678

IUPAC1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene
SMILESCCC(C)(CC)c1cc(C)c(C(C)(CC)CC)c(C)c1
InChIInChI=1S/C20H34/c1-9-19(7,10-2)17-13-15(5)18(16(6)14-17)20(8,11-3)12-4/h13-14H,9-12H2,1-8H3
InChIKeyMNSWCTGTGBIBGM-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.46
Rot. Bonds6

About 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene

1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene (PubChem CID 157426678) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene
PubChem CID157426678
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene
SMILESCCC(C)(CC)c1cc(C)c(C(C)(CC)CC)c(C)c1
InChIInChI=1S/C20H34/c1-9-19(7,10-2)17-13-15(5)18(16(6)14-17)20(8,11-3)12-4/h13-14H,9-12H2,1-8H3
InChIKeyMNSWCTGTGBIBGM-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene?
The IUPAC name of 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene (CID 157426678) is 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene.
What is the SMILES notation for 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene?
The canonical SMILES for 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene is CCC(C)(CC)c1cc(C)c(C(C)(CC)CC)c(C)c1.
What is the InChIKey of 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene?
The InChIKey is MNSWCTGTGBIBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-9-19(7,10-2)17-13-15(5)18(16(6)14-17)20(8,11-3)12-4/h13-14H,9-12H2,1-8H3.
What are the key properties of 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene?
1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene has a molecular weight of 274.49 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,5-bis(3-methylpentan-3-yl)benzene is sourced from PubChem (CID 157426678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).