1,3-dipropylbenzene

C12H18 — CID 519365

IUPAC1,3-dipropylbenzene
SMILESCCCc1cccc(CCC)c1
InChIInChI=1S/C12H18/c1-3-6-11-8-5-9-12(10-11)7-4-2/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyGWTBXGSNWKXTPX-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.59
Rot. Bonds4

About 1,3-dipropylbenzene

1,3-dipropylbenzene (PubChem CID 519365) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,3-dipropylbenzene.

Molecular Properties

Compound Name1,3-dipropylbenzene
PubChem CID519365
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,3-dipropylbenzene
SMILESCCCc1cccc(CCC)c1
InChIInChI=1S/C12H18/c1-3-6-11-8-5-9-12(10-11)7-4-2/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyGWTBXGSNWKXTPX-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dipropylbenzene?
The IUPAC name of 1,3-dipropylbenzene (CID 519365) is 1,3-dipropylbenzene.
What is the SMILES notation for 1,3-dipropylbenzene?
The canonical SMILES for 1,3-dipropylbenzene is CCCc1cccc(CCC)c1.
What is the InChIKey of 1,3-dipropylbenzene?
The InChIKey is GWTBXGSNWKXTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-6-11-8-5-9-12(10-11)7-4-2/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 1,3-dipropylbenzene?
1,3-dipropylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropylbenzene is sourced from PubChem (CID 519365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).