2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene

C22H42O — CID 90792980

IUPAC2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene
SMILESCCCCCCCCC(C)=COC=C(C)CCCCCCCC
InChIInChI=1S/C22H42O/c1-5-7-9-11-13-15-17-21(3)19-23-20-22(4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyGUBFKAGIEHCJGX-UHFFFAOYSA-N
MW322.58 g/mol
LogP8.31
Rot. Bonds16

About 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene

2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene (PubChem CID 90792980) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene.

Molecular Properties

Compound Name2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene
PubChem CID90792980
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene
SMILESCCCCCCCCC(C)=COC=C(C)CCCCCCCC
InChIInChI=1S/C22H42O/c1-5-7-9-11-13-15-17-21(3)19-23-20-22(4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyGUBFKAGIEHCJGX-UHFFFAOYSA-N
XLogP8.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 58.31
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 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene?
The IUPAC name of 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene (CID 90792980) is 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene.
What is the SMILES notation for 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene?
The canonical SMILES for 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene is CCCCCCCCC(C)=COC=C(C)CCCCCCCC.
What is the InChIKey of 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene?
The InChIKey is GUBFKAGIEHCJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O/c1-5-7-9-11-13-15-17-21(3)19-23-20-22(4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene?
2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene has a molecular weight of 322.58 g/mol, XLogP of 8.31, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyldec-1-enoxy)dec-1-ene is sourced from PubChem (CID 90792980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).