1-butan-2-yl-2,3,4,5,6-pentamethylbenzene

C15H24 — CID 18724216

IUPAC1-butan-2-yl-2,3,4,5,6-pentamethylbenzene
SMILESCCC(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C15H24/c1-8-9(2)15-13(6)11(4)10(3)12(5)14(15)7/h9H,8H2,1-7H3
InChIKeyBPFRSIOQRAGQBV-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.74
Rot. Bonds2

About 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene

1-butan-2-yl-2,3,4,5,6-pentamethylbenzene (PubChem CID 18724216) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-butan-2-yl-2,3,4,5,6-pentamethylbenzene
PubChem CID18724216
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-butan-2-yl-2,3,4,5,6-pentamethylbenzene
SMILESCCC(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C15H24/c1-8-9(2)15-13(6)11(4)10(3)12(5)14(15)7/h9H,8H2,1-7H3
InChIKeyBPFRSIOQRAGQBV-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene (CID 18724216) is 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene is CCC(C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene?
The InChIKey is BPFRSIOQRAGQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-8-9(2)15-13(6)11(4)10(3)12(5)14(15)7/h9H,8H2,1-7H3.
What are the key properties of 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene?
1-butan-2-yl-2,3,4,5,6-pentamethylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 18724216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).