2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene

C19H30 — CID 146002714

IUPAC2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene
SMILESC=C(C)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H30/c1-12(2)9-19-17(14(5)6)10-16(13(3)4)11-18(19)15(7)8/h10-11,13-15H,1,9H2,2-8H3
InChIKeyYBAFGCVGJFBPRG-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.18
Rot. Bonds5

About 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene

2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene (PubChem CID 146002714) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene
PubChem CID146002714
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene
SMILESC=C(C)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H30/c1-12(2)9-19-17(14(5)6)10-16(13(3)4)11-18(19)15(7)8/h10-11,13-15H,1,9H2,2-8H3
InChIKeyYBAFGCVGJFBPRG-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
CID 13297027
2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene;ethane
CID 143865267
2-ethenyl-1,3,5-tri(propan-2-yl)benzene
CID 12920624
2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol
CID 146198081
CID 101233862
CID 101233862
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium
CID 102529639
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one
CID 100949370
bis[2,4,6-tri(propan-2-yl)phenyl]borinic acid
CID 139174643
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
CID 86735896

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene?
The IUPAC name of 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene (CID 146002714) is 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene is C=C(C)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene?
The InChIKey is YBAFGCVGJFBPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-12(2)9-19-17(14(5)6)10-16(13(3)4)11-18(19)15(7)8/h10-11,13-15H,1,9H2,2-8H3.
What are the key properties of 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene?
2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene has a molecular weight of 258.45 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene is sourced from PubChem (CID 146002714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).