1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene

C17H24 — CID 162268770

IUPAC1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene
SMILESC=C(C=C(C)C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H24/c1-10(2)9-11(3)17-15(7)13(5)12(4)14(6)16(17)8/h9H,3H2,1-2,4-8H3
InChIKeyKHSYYWMGCUBLFC-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.21
Rot. Bonds2

About 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene

1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene (PubChem CID 162268770) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene
PubChem CID162268770
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene
SMILESC=C(C=C(C)C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H24/c1-10(2)9-11(3)17-15(7)13(5)12(4)14(6)16(17)8/h9H,3H2,1-2,4-8H3
InChIKeyKHSYYWMGCUBLFC-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene (CID 162268770) is 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene is C=C(C=C(C)C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene?
The InChIKey is KHSYYWMGCUBLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-10(2)9-11(3)17-15(7)13(5)12(4)14(6)16(17)8/h9H,3H2,1-2,4-8H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene?
1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene has a molecular weight of 228.38 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene is sourced from PubChem (CID 162268770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).