1,5-dimethoxy-2-methyl-3-pentylbenzene

C14H22O2 — CID 127028400

IUPAC1,5-dimethoxy-2-methyl-3-pentylbenzene
SMILESCCCCCc1cc(OC)cc(OC)c1C
InChIInChI=1S/C14H22O2/c1-5-6-7-8-12-9-13(15-3)10-14(16-4)11(12)2/h9-10H,5-8H2,1-4H3
InChIKeyLYQIDCDBYSUQGN-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.74
Rot. Bonds6

About 1,5-dimethoxy-2-methyl-3-pentylbenzene

1,5-dimethoxy-2-methyl-3-pentylbenzene (PubChem CID 127028400) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,5-dimethoxy-2-methyl-3-pentylbenzene.

Molecular Properties

Compound Name1,5-dimethoxy-2-methyl-3-pentylbenzene
PubChem CID127028400
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1,5-dimethoxy-2-methyl-3-pentylbenzene
SMILESCCCCCc1cc(OC)cc(OC)c1C
InChIInChI=1S/C14H22O2/c1-5-6-7-8-12-9-13(15-3)10-14(16-4)11(12)2/h9-10H,5-8H2,1-4H3
InChIKeyLYQIDCDBYSUQGN-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.74
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 1,5-dimethoxy-2-methyl-3-pentylbenzene?
The IUPAC name of 1,5-dimethoxy-2-methyl-3-pentylbenzene (CID 127028400) is 1,5-dimethoxy-2-methyl-3-pentylbenzene.
What is the SMILES notation for 1,5-dimethoxy-2-methyl-3-pentylbenzene?
The canonical SMILES for 1,5-dimethoxy-2-methyl-3-pentylbenzene is CCCCCc1cc(OC)cc(OC)c1C.
What is the InChIKey of 1,5-dimethoxy-2-methyl-3-pentylbenzene?
The InChIKey is LYQIDCDBYSUQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-6-7-8-12-9-13(15-3)10-14(16-4)11(12)2/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,5-dimethoxy-2-methyl-3-pentylbenzene?
1,5-dimethoxy-2-methyl-3-pentylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-2-methyl-3-pentylbenzene is sourced from PubChem (CID 127028400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).