2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene

C17H26 — CID 91017213

IUPAC2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene
SMILESCCC=Cc1c(C(C)C)cc(C)cc1C(C)C
InChIInChI=1S/C17H26/c1-7-8-9-15-16(12(2)3)10-14(6)11-17(15)13(4)5/h8-13H,7H2,1-6H3
InChIKeySCLRALKJDCUBFI-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.67
Rot. Bonds4

About 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene

2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene (PubChem CID 91017213) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene
PubChem CID91017213
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene
SMILESCCC=Cc1c(C(C)C)cc(C)cc1C(C)C
InChIInChI=1S/C17H26/c1-7-8-9-15-16(12(2)3)10-14(6)11-17(15)13(4)5/h8-13H,7H2,1-6H3
InChIKeySCLRALKJDCUBFI-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene (CID 91017213) is 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene is CCC=Cc1c(C(C)C)cc(C)cc1C(C)C.
What is the InChIKey of 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene?
The InChIKey is SCLRALKJDCUBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-7-8-9-15-16(12(2)3)10-14(6)11-17(15)13(4)5/h8-13H,7H2,1-6H3.
What are the key properties of 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene?
2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene has a molecular weight of 230.39 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-5-methyl-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 91017213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).