ethene;10-ethoxy-1,1,1-trimethoxydecane

C17H36O4 — CID 159955501

IUPACethene;10-ethoxy-1,1,1-trimethoxydecane
SMILESC=C.CCOCCCCCCCCCC(OC)(OC)OC
InChIInChI=1S/C15H32O4.C2H4/c1-5-19-14-12-10-8-6-7-9-11-13-15(16-2,17-3)18-4;1-2/h5-14H2,1-4H3;1-2H2
InChIKeyOCQWUUYUZVCYMI-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.54
Rot. Bonds14

About ethene;10-ethoxy-1,1,1-trimethoxydecane

ethene;10-ethoxy-1,1,1-trimethoxydecane (PubChem CID 159955501) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is ethene;10-ethoxy-1,1,1-trimethoxydecane.

Molecular Properties

Compound Nameethene;10-ethoxy-1,1,1-trimethoxydecane
PubChem CID159955501
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Nameethene;10-ethoxy-1,1,1-trimethoxydecane
SMILESC=C.CCOCCCCCCCCCC(OC)(OC)OC
InChIInChI=1S/C15H32O4.C2H4/c1-5-19-14-12-10-8-6-7-9-11-13-15(16-2,17-3)18-4;1-2/h5-14H2,1-4H3;1-2H2
InChIKeyOCQWUUYUZVCYMI-UHFFFAOYSA-N
XLogP4.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

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1,1,1,25,25,25-hexamethoxypentacosane
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1-ethoxy-10,10-dimethylundecane
CID 150524219
1-ethoxy-6,6-dimethylheptane
CID 58021102
1,1,1-trimethoxytridecane
CID 102481821
1,1,1,21,21,21-hexamethoxy-11,11-dipropylhenicosane
CID 151648189
CID 53438226
CID 53438226
13-chloro-1,1,1-trimethoxytridecane
CID 150619368
1,2-diethoxyethane;ethene
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1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131

Frequently Asked Questions

What is the IUPAC name of ethene;10-ethoxy-1,1,1-trimethoxydecane?
The IUPAC name of ethene;10-ethoxy-1,1,1-trimethoxydecane (CID 159955501) is ethene;10-ethoxy-1,1,1-trimethoxydecane.
What is the SMILES notation for ethene;10-ethoxy-1,1,1-trimethoxydecane?
The canonical SMILES for ethene;10-ethoxy-1,1,1-trimethoxydecane is C=C.CCOCCCCCCCCCC(OC)(OC)OC.
What is the InChIKey of ethene;10-ethoxy-1,1,1-trimethoxydecane?
The InChIKey is OCQWUUYUZVCYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4.C2H4/c1-5-19-14-12-10-8-6-7-9-11-13-15(16-2,17-3)18-4;1-2/h5-14H2,1-4H3;1-2H2.
What are the key properties of ethene;10-ethoxy-1,1,1-trimethoxydecane?
ethene;10-ethoxy-1,1,1-trimethoxydecane has a molecular weight of 304.47 g/mol, XLogP of 4.54, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;10-ethoxy-1,1,1-trimethoxydecane is sourced from PubChem (CID 159955501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).