1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene

C17H26 — CID 72621830

IUPAC1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene
SMILESCCC=C(C)Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H26/c1-8-9-11(2)10-17-15(6)13(4)12(3)14(5)16(17)7/h9H,8,10H2,1-7H3
InChIKeySDRFGGIMBXJREI-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.13
Rot. Bonds3

About 1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene

1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene (PubChem CID 72621830) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene
PubChem CID72621830
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene
SMILESCCC=C(C)Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H26/c1-8-9-11(2)10-17-15(6)13(4)12(3)14(5)16(17)7/h9H,8,10H2,1-7H3
InChIKeySDRFGGIMBXJREI-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene (CID 72621830) is 1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene is CCC=C(C)Cc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene?
The InChIKey is SDRFGGIMBXJREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-8-9-11(2)10-17-15(6)13(4)12(3)14(5)16(17)7/h9H,8,10H2,1-7H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene?
1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene has a molecular weight of 230.39 g/mol, XLogP of 5.13, 3 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-(2-methylpent-2-enyl)benzene is sourced from PubChem (CID 72621830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).