1-hex-1-en-2-yl-2,4,5-trimethylbenzene

C15H22 — CID 142349579

IUPAC1-hex-1-en-2-yl-2,4,5-trimethylbenzene
SMILESC=C(CCCC)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H22/c1-6-7-8-11(2)15-10-13(4)12(3)9-14(15)5/h9-10H,2,6-8H2,1,3-5H3
InChIKeyVSSSNGAXXVWZGT-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.82
Rot. Bonds4

About 1-hex-1-en-2-yl-2,4,5-trimethylbenzene

1-hex-1-en-2-yl-2,4,5-trimethylbenzene (PubChem CID 142349579) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-hex-1-en-2-yl-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-hex-1-en-2-yl-2,4,5-trimethylbenzene
PubChem CID142349579
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-hex-1-en-2-yl-2,4,5-trimethylbenzene
SMILESC=C(CCCC)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H22/c1-6-7-8-11(2)15-10-13(4)12(3)9-14(15)5/h9-10H,2,6-8H2,1,3-5H3
InChIKeyVSSSNGAXXVWZGT-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-hex-1-en-2-yl-2,4,5-trimethylbenzene?
The IUPAC name of 1-hex-1-en-2-yl-2,4,5-trimethylbenzene (CID 142349579) is 1-hex-1-en-2-yl-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-hex-1-en-2-yl-2,4,5-trimethylbenzene?
The canonical SMILES for 1-hex-1-en-2-yl-2,4,5-trimethylbenzene is C=C(CCCC)c1cc(C)c(C)cc1C.
What is the InChIKey of 1-hex-1-en-2-yl-2,4,5-trimethylbenzene?
The InChIKey is VSSSNGAXXVWZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-6-7-8-11(2)15-10-13(4)12(3)9-14(15)5/h9-10H,2,6-8H2,1,3-5H3.
What are the key properties of 1-hex-1-en-2-yl-2,4,5-trimethylbenzene?
1-hex-1-en-2-yl-2,4,5-trimethylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-en-2-yl-2,4,5-trimethylbenzene is sourced from PubChem (CID 142349579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).