1,2,3,4-tetramethyl-5-pent-4-enylbenzene

C15H22 — CID 91583906

IUPAC1,2,3,4-tetramethyl-5-pent-4-enylbenzene
SMILESC=CCCCc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C15H22/c1-6-7-8-9-15-10-11(2)12(3)13(4)14(15)5/h6,10H,1,7-9H2,2-5H3
InChIKeyPMKXCGYUFOSTQA-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.43
Rot. Bonds4

About 1,2,3,4-tetramethyl-5-pent-4-enylbenzene

1,2,3,4-tetramethyl-5-pent-4-enylbenzene (PubChem CID 91583906) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-pent-4-enylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-pent-4-enylbenzene
PubChem CID91583906
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1,2,3,4-tetramethyl-5-pent-4-enylbenzene
SMILESC=CCCCc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C15H22/c1-6-7-8-9-15-10-11(2)12(3)13(4)14(15)5/h6,10H,1,7-9H2,2-5H3
InChIKeyPMKXCGYUFOSTQA-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-pent-4-enylbenzene?
The IUPAC name of 1,2,3,4-tetramethyl-5-pent-4-enylbenzene (CID 91583906) is 1,2,3,4-tetramethyl-5-pent-4-enylbenzene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-pent-4-enylbenzene?
The canonical SMILES for 1,2,3,4-tetramethyl-5-pent-4-enylbenzene is C=CCCCc1cc(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-pent-4-enylbenzene?
The InChIKey is PMKXCGYUFOSTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-6-7-8-9-15-10-11(2)12(3)13(4)14(15)5/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 1,2,3,4-tetramethyl-5-pent-4-enylbenzene?
1,2,3,4-tetramethyl-5-pent-4-enylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-pent-4-enylbenzene is sourced from PubChem (CID 91583906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).