(E)-10-methoxy-6,10-dimethylundec-5-en-2-one

C14H26O2 — CID 88821326

IUPAC(E)-10-methoxy-6,10-dimethylundec-5-en-2-one
SMILESCOC(C)(C)CCC/C(C)=C/CCC(C)=O
InChIInChI=1S/C14H26O2/c1-12(8-6-10-13(2)15)9-7-11-14(3,4)16-5/h8H,6-7,9-11H2,1-5H3/b12-8+
InChIKeyJOPVWCKOMRXEMO-XYOKQWHBSA-N
MW226.36 g/mol
LogP3.90
Rot. Bonds8

About (E)-10-methoxy-6,10-dimethylundec-5-en-2-one

(E)-10-methoxy-6,10-dimethylundec-5-en-2-one (PubChem CID 88821326) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (E)-10-methoxy-6,10-dimethylundec-5-en-2-one.

Molecular Properties

Compound Name(E)-10-methoxy-6,10-dimethylundec-5-en-2-one
PubChem CID88821326
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(E)-10-methoxy-6,10-dimethylundec-5-en-2-one
SMILESCOC(C)(C)CCC/C(C)=C/CCC(C)=O
InChIInChI=1S/C14H26O2/c1-12(8-6-10-13(2)15)9-7-11-14(3,4)16-5/h8H,6-7,9-11H2,1-5H3/b12-8+
InChIKeyJOPVWCKOMRXEMO-XYOKQWHBSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-10-methoxy-6,10-dimethylundec-5-en-2-one?
The IUPAC name of (E)-10-methoxy-6,10-dimethylundec-5-en-2-one (CID 88821326) is (E)-10-methoxy-6,10-dimethylundec-5-en-2-one.
What is the SMILES notation for (E)-10-methoxy-6,10-dimethylundec-5-en-2-one?
The canonical SMILES for (E)-10-methoxy-6,10-dimethylundec-5-en-2-one is COC(C)(C)CCC/C(C)=C/CCC(C)=O.
What is the InChIKey of (E)-10-methoxy-6,10-dimethylundec-5-en-2-one?
The InChIKey is JOPVWCKOMRXEMO-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(8-6-10-13(2)15)9-7-11-14(3,4)16-5/h8H,6-7,9-11H2,1-5H3/b12-8+.
What are the key properties of (E)-10-methoxy-6,10-dimethylundec-5-en-2-one?
(E)-10-methoxy-6,10-dimethylundec-5-en-2-one has a molecular weight of 226.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-methoxy-6,10-dimethylundec-5-en-2-one is sourced from PubChem (CID 88821326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).