1,3-dimethyl-5-propylbenzene

C11H16 — CID 520962

IUPAC1,3-dimethyl-5-propylbenzene
SMILESCCCc1cc(C)cc(C)c1
InChIInChI=1S/C11H16/c1-4-5-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3
InChIKeyNBICXWXPZRNMPF-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.26
Rot. Bonds2

About 1,3-dimethyl-5-propylbenzene

1,3-dimethyl-5-propylbenzene (PubChem CID 520962) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-propylbenzene.

Molecular Properties

Compound Name1,3-dimethyl-5-propylbenzene
PubChem CID520962
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1,3-dimethyl-5-propylbenzene
SMILESCCCc1cc(C)cc(C)c1
InChIInChI=1S/C11H16/c1-4-5-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3
InChIKeyNBICXWXPZRNMPF-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propylbenzene?
The IUPAC name of 1,3-dimethyl-5-propylbenzene (CID 520962) is 1,3-dimethyl-5-propylbenzene.
What is the SMILES notation for 1,3-dimethyl-5-propylbenzene?
The canonical SMILES for 1,3-dimethyl-5-propylbenzene is CCCc1cc(C)cc(C)c1.
What is the InChIKey of 1,3-dimethyl-5-propylbenzene?
The InChIKey is NBICXWXPZRNMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-5-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propylbenzene?
1,3-dimethyl-5-propylbenzene has a molecular weight of 148.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propylbenzene is sourced from PubChem (CID 520962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).