1-methoxy-2-[(E)-undec-2-en-2-yl]benzene

C18H28O — CID 101435872

IUPAC1-methoxy-2-[(E)-undec-2-en-2-yl]benzene
SMILESCCCCCCCC/C=C(\C)c1ccccc1OC
InChIInChI=1S/C18H28O/c1-4-5-6-7-8-9-10-13-16(2)17-14-11-12-15-18(17)19-3/h11-15H,4-10H2,1-3H3/b16-13+
InChIKeyHJKCSCNFHVVOND-DTQAZKPQSA-N
MW260.42 g/mol
LogP5.85
Rot. Bonds9

About 1-methoxy-2-[(E)-undec-2-en-2-yl]benzene

1-methoxy-2-[(E)-undec-2-en-2-yl]benzene (PubChem CID 101435872) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-methoxy-2-[(E)-undec-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(E)-undec-2-en-2-yl]benzene
PubChem CID101435872
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-methoxy-2-[(E)-undec-2-en-2-yl]benzene
SMILESCCCCCCCC/C=C(\C)c1ccccc1OC
InChIInChI=1S/C18H28O/c1-4-5-6-7-8-9-10-13-16(2)17-14-11-12-15-18(17)19-3/h11-15H,4-10H2,1-3H3/b16-13+
InChIKeyHJKCSCNFHVVOND-DTQAZKPQSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.85
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-[(E)-undec-2-en-2-yl]benzene?
The IUPAC name of 1-methoxy-2-[(E)-undec-2-en-2-yl]benzene (CID 101435872) is 1-methoxy-2-[(E)-undec-2-en-2-yl]benzene.
What is the SMILES notation for 1-methoxy-2-[(E)-undec-2-en-2-yl]benzene?
The canonical SMILES for 1-methoxy-2-[(E)-undec-2-en-2-yl]benzene is CCCCCCCC/C=C(\C)c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(E)-undec-2-en-2-yl]benzene?
The InChIKey is HJKCSCNFHVVOND-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H28O/c1-4-5-6-7-8-9-10-13-16(2)17-14-11-12-15-18(17)19-3/h11-15H,4-10H2,1-3H3/b16-13+.
What are the key properties of 1-methoxy-2-[(E)-undec-2-en-2-yl]benzene?
1-methoxy-2-[(E)-undec-2-en-2-yl]benzene has a molecular weight of 260.42 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(E)-undec-2-en-2-yl]benzene is sourced from PubChem (CID 101435872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).