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

C13H18 — CID 173045732

IUPAC1,2,3,5-tetramethyl-4-prop-1-enylbenzene
SMILESCC=Cc1c(C)cc(C)c(C)c1C
InChIInChI=1S/C13H18/c1-6-7-13-10(3)8-9(2)11(4)12(13)5/h6-8H,1-5H3
InChIKeyNLEKOHMUCXAYMX-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.95
Rot. Bonds1

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

1,2,3,5-tetramethyl-4-prop-1-enylbenzene (PubChem CID 173045732) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4-prop-1-enylbenzene.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4-prop-1-enylbenzene
PubChem CID173045732
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1,2,3,5-tetramethyl-4-prop-1-enylbenzene
SMILESCC=Cc1c(C)cc(C)c(C)c1C
InChIInChI=1S/C13H18/c1-6-7-13-10(3)8-9(2)11(4)12(13)5/h6-8H,1-5H3
InChIKeyNLEKOHMUCXAYMX-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-4-prop-1-enylbenzene?
The IUPAC name of 1,2,3,5-tetramethyl-4-prop-1-enylbenzene (CID 173045732) is 1,2,3,5-tetramethyl-4-prop-1-enylbenzene.
What is the SMILES notation for 1,2,3,5-tetramethyl-4-prop-1-enylbenzene?
The canonical SMILES for 1,2,3,5-tetramethyl-4-prop-1-enylbenzene is CC=Cc1c(C)cc(C)c(C)c1C.
What is the InChIKey of 1,2,3,5-tetramethyl-4-prop-1-enylbenzene?
The InChIKey is NLEKOHMUCXAYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-6-7-13-10(3)8-9(2)11(4)12(13)5/h6-8H,1-5H3.
What are the key properties of 1,2,3,5-tetramethyl-4-prop-1-enylbenzene?
1,2,3,5-tetramethyl-4-prop-1-enylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-4-prop-1-enylbenzene is sourced from PubChem (CID 173045732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).