[(2Z)-2-(methoxymethylidene)decyl]benzene

C18H28O — CID 91807526

IUPAC[(2Z)-2-(methoxymethylidene)decyl]benzene
SMILESCCCCCCCC/C(=C/OC)Cc1ccccc1
InChIInChI=1S/C18H28O/c1-3-4-5-6-7-9-14-18(16-19-2)15-17-12-10-8-11-13-17/h8,10-13,16H,3-7,9,14-15H2,1-2H3/b18-16-
InChIKeyHUIGEWRSJSSWAN-VLGSPTGOSA-N
MW260.42 g/mol
LogP5.51
Rot. Bonds10

About [(2Z)-2-(methoxymethylidene)decyl]benzene

[(2Z)-2-(methoxymethylidene)decyl]benzene (PubChem CID 91807526) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is [(2Z)-2-(methoxymethylidene)decyl]benzene.

Molecular Properties

Compound Name[(2Z)-2-(methoxymethylidene)decyl]benzene
PubChem CID91807526
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name[(2Z)-2-(methoxymethylidene)decyl]benzene
SMILESCCCCCCCC/C(=C/OC)Cc1ccccc1
InChIInChI=1S/C18H28O/c1-3-4-5-6-7-9-14-18(16-19-2)15-17-12-10-8-11-13-17/h8,10-13,16H,3-7,9,14-15H2,1-2H3/b18-16-
InChIKeyHUIGEWRSJSSWAN-VLGSPTGOSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(methoxymethylidene)decyl]benzene?
The IUPAC name of [(2Z)-2-(methoxymethylidene)decyl]benzene (CID 91807526) is [(2Z)-2-(methoxymethylidene)decyl]benzene.
What is the SMILES notation for [(2Z)-2-(methoxymethylidene)decyl]benzene?
The canonical SMILES for [(2Z)-2-(methoxymethylidene)decyl]benzene is CCCCCCCC/C(=C/OC)Cc1ccccc1.
What is the InChIKey of [(2Z)-2-(methoxymethylidene)decyl]benzene?
The InChIKey is HUIGEWRSJSSWAN-VLGSPTGOSA-N. The full InChI is InChI=1S/C18H28O/c1-3-4-5-6-7-9-14-18(16-19-2)15-17-12-10-8-11-13-17/h8,10-13,16H,3-7,9,14-15H2,1-2H3/b18-16-.
What are the key properties of [(2Z)-2-(methoxymethylidene)decyl]benzene?
[(2Z)-2-(methoxymethylidene)decyl]benzene has a molecular weight of 260.42 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(methoxymethylidene)decyl]benzene is sourced from PubChem (CID 91807526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).