(E)-3-(methoxymethoxy)-2-methyldec-4-ene

C13H26O2 — CID 134991250

IUPAC(E)-3-(methoxymethoxy)-2-methyldec-4-ene
SMILESCCCCC/C=C/C(OCOC)C(C)C
InChIInChI=1S/C13H26O2/c1-5-6-7-8-9-10-13(12(2)3)15-11-14-4/h9-10,12-13H,5-8,11H2,1-4H3/b10-9+
InChIKeyFKZGCHIFILEENO-MDZDMXLPSA-N
MW214.35 g/mol
LogP3.77
Rot. Bonds9

About (E)-3-(methoxymethoxy)-2-methyldec-4-ene

(E)-3-(methoxymethoxy)-2-methyldec-4-ene (PubChem CID 134991250) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (E)-3-(methoxymethoxy)-2-methyldec-4-ene.

Molecular Properties

Compound Name(E)-3-(methoxymethoxy)-2-methyldec-4-ene
PubChem CID134991250
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(E)-3-(methoxymethoxy)-2-methyldec-4-ene
SMILESCCCCC/C=C/C(OCOC)C(C)C
InChIInChI=1S/C13H26O2/c1-5-6-7-8-9-10-13(12(2)3)15-11-14-4/h9-10,12-13H,5-8,11H2,1-4H3/b10-9+
InChIKeyFKZGCHIFILEENO-MDZDMXLPSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(methoxymethoxy)-2-methyldec-4-ene?
The IUPAC name of (E)-3-(methoxymethoxy)-2-methyldec-4-ene (CID 134991250) is (E)-3-(methoxymethoxy)-2-methyldec-4-ene.
What is the SMILES notation for (E)-3-(methoxymethoxy)-2-methyldec-4-ene?
The canonical SMILES for (E)-3-(methoxymethoxy)-2-methyldec-4-ene is CCCCC/C=C/C(OCOC)C(C)C.
What is the InChIKey of (E)-3-(methoxymethoxy)-2-methyldec-4-ene?
The InChIKey is FKZGCHIFILEENO-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-6-7-8-9-10-13(12(2)3)15-11-14-4/h9-10,12-13H,5-8,11H2,1-4H3/b10-9+.
What are the key properties of (E)-3-(methoxymethoxy)-2-methyldec-4-ene?
(E)-3-(methoxymethoxy)-2-methyldec-4-ene has a molecular weight of 214.35 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methoxymethoxy)-2-methyldec-4-ene is sourced from PubChem (CID 134991250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).