1-methoxy-2-(2-methylundecan-2-yl)benzene

C19H32O — CID 56625929

IUPAC1-methoxy-2-(2-methylundecan-2-yl)benzene
SMILESCCCCCCCCCC(C)(C)c1ccccc1OC
InChIInChI=1S/C19H32O/c1-5-6-7-8-9-10-13-16-19(2,3)17-14-11-12-15-18(17)20-4/h11-12,14-15H,5-10,13,16H2,1-4H3
InChIKeyANYVICICFHVYJQ-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.11
Rot. Bonds10

About 1-methoxy-2-(2-methylundecan-2-yl)benzene

1-methoxy-2-(2-methylundecan-2-yl)benzene (PubChem CID 56625929) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-methoxy-2-(2-methylundecan-2-yl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-methylundecan-2-yl)benzene
PubChem CID56625929
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-methoxy-2-(2-methylundecan-2-yl)benzene
SMILESCCCCCCCCCC(C)(C)c1ccccc1OC
InChIInChI=1S/C19H32O/c1-5-6-7-8-9-10-13-16-19(2,3)17-14-11-12-15-18(17)20-4/h11-12,14-15H,5-10,13,16H2,1-4H3
InChIKeyANYVICICFHVYJQ-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methoxy-2-(2-methylundecan-2-yl)benzene?
The IUPAC name of 1-methoxy-2-(2-methylundecan-2-yl)benzene (CID 56625929) is 1-methoxy-2-(2-methylundecan-2-yl)benzene.
What is the SMILES notation for 1-methoxy-2-(2-methylundecan-2-yl)benzene?
The canonical SMILES for 1-methoxy-2-(2-methylundecan-2-yl)benzene is CCCCCCCCCC(C)(C)c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-(2-methylundecan-2-yl)benzene?
The InChIKey is ANYVICICFHVYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-5-6-7-8-9-10-13-16-19(2,3)17-14-11-12-15-18(17)20-4/h11-12,14-15H,5-10,13,16H2,1-4H3.
What are the key properties of 1-methoxy-2-(2-methylundecan-2-yl)benzene?
1-methoxy-2-(2-methylundecan-2-yl)benzene has a molecular weight of 276.46 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methylundecan-2-yl)benzene is sourced from PubChem (CID 56625929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).