benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene

C19H26 — CID 144639766

IUPACbenzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
SMILESCC.CC(C)=Cc1ccccc1C.c1ccccc1
InChIInChI=1S/C11H14.C6H6.C2H6/c1-9(2)8-11-7-5-4-6-10(11)3;1-2-4-6-5-3-1;1-2/h4-8H,1-3H3;1-6H;1-2H3
InChIKeyWXOQYCMFPSLGDK-UHFFFAOYSA-N
MW254.42 g/mol
LogP6.13
Rot. Bonds1

About benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene

benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene (PubChem CID 144639766) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Namebenzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
PubChem CID144639766
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Namebenzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
SMILESCC.CC(C)=Cc1ccccc1C.c1ccccc1
InChIInChI=1S/C11H14.C6H6.C2H6/c1-9(2)8-11-7-5-4-6-10(11)3;1-2-4-6-5-3-1;1-2/h4-8H,1-3H3;1-6H;1-2H3
InChIKeyWXOQYCMFPSLGDK-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene?
The IUPAC name of benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene (CID 144639766) is benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene.
What is the SMILES notation for benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene?
The canonical SMILES for benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene is CC.CC(C)=Cc1ccccc1C.c1ccccc1.
What is the InChIKey of benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene?
The InChIKey is WXOQYCMFPSLGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C6H6.C2H6/c1-9(2)8-11-7-5-4-6-10(11)3;1-2-4-6-5-3-1;1-2/h4-8H,1-3H3;1-6H;1-2H3.
What are the key properties of benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene?
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene has a molecular weight of 254.42 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene is sourced from PubChem (CID 144639766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).