(6E)-6-(methoxymethylidene)-3,4-dimethylundecane

C15H30O — CID 135036682

IUPAC(6E)-6-(methoxymethylidene)-3,4-dimethylundecane
SMILESCCCCC/C(=C\OC)CC(C)C(C)CC
InChIInChI=1S/C15H30O/c1-6-8-9-10-15(12-16-5)11-14(4)13(3)7-2/h12-14H,6-11H2,1-5H3/b15-12+
InChIKeyDNOKPPDOLGECOK-NTCAYCPXSA-N
MW226.40 g/mol
LogP5.17
Rot. Bonds9

About (6E)-6-(methoxymethylidene)-3,4-dimethylundecane

(6E)-6-(methoxymethylidene)-3,4-dimethylundecane (PubChem CID 135036682) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (6E)-6-(methoxymethylidene)-3,4-dimethylundecane.

Molecular Properties

Compound Name(6E)-6-(methoxymethylidene)-3,4-dimethylundecane
PubChem CID135036682
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(6E)-6-(methoxymethylidene)-3,4-dimethylundecane
SMILESCCCCC/C(=C\OC)CC(C)C(C)CC
InChIInChI=1S/C15H30O/c1-6-8-9-10-15(12-16-5)11-14(4)13(3)7-2/h12-14H,6-11H2,1-5H3/b15-12+
InChIKeyDNOKPPDOLGECOK-NTCAYCPXSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.17
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 (6E)-6-(methoxymethylidene)-3,4-dimethylundecane?
The IUPAC name of (6E)-6-(methoxymethylidene)-3,4-dimethylundecane (CID 135036682) is (6E)-6-(methoxymethylidene)-3,4-dimethylundecane.
What is the SMILES notation for (6E)-6-(methoxymethylidene)-3,4-dimethylundecane?
The canonical SMILES for (6E)-6-(methoxymethylidene)-3,4-dimethylundecane is CCCCC/C(=C\OC)CC(C)C(C)CC.
What is the InChIKey of (6E)-6-(methoxymethylidene)-3,4-dimethylundecane?
The InChIKey is DNOKPPDOLGECOK-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H30O/c1-6-8-9-10-15(12-16-5)11-14(4)13(3)7-2/h12-14H,6-11H2,1-5H3/b15-12+.
What are the key properties of (6E)-6-(methoxymethylidene)-3,4-dimethylundecane?
(6E)-6-(methoxymethylidene)-3,4-dimethylundecane has a molecular weight of 226.40 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(methoxymethylidene)-3,4-dimethylundecane is sourced from PubChem (CID 135036682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).