1,3-dimethoxy-5-pentylbenzene

C13H20O2 — CID 524886

IUPAC1,3-dimethoxy-5-pentylbenzene
SMILESCCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20O2/c1-4-5-6-7-11-8-12(14-2)10-13(9-11)15-3/h8-10H,4-7H2,1-3H3
InChIKeyLSPSEUBXQFHRGA-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.44
Rot. Bonds6

About 1,3-dimethoxy-5-pentylbenzene

1,3-dimethoxy-5-pentylbenzene (PubChem CID 524886) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,3-dimethoxy-5-pentylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-pentylbenzene
PubChem CID524886
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1,3-dimethoxy-5-pentylbenzene
SMILESCCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H20O2/c1-4-5-6-7-11-8-12(14-2)10-13(9-11)15-3/h8-10H,4-7H2,1-3H3
InChIKeyLSPSEUBXQFHRGA-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-pentylbenzene?
The IUPAC name of 1,3-dimethoxy-5-pentylbenzene (CID 524886) is 1,3-dimethoxy-5-pentylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-pentylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-pentylbenzene is CCCCCc1cc(OC)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-pentylbenzene?
The InChIKey is LSPSEUBXQFHRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-6-7-11-8-12(14-2)10-13(9-11)15-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethoxy-5-pentylbenzene?
1,3-dimethoxy-5-pentylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-pentylbenzene is sourced from PubChem (CID 524886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).