1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane

C14H26O3 — CID 129150735

IUPAC1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane
SMILESC=COCCC(C)(C)OCCC(C)(C)OC=C
InChIInChI=1S/C14H26O3/c1-7-15-11-9-14(5,6)17-12-10-13(3,4)16-8-2/h7-8H,1-2,9-12H2,3-6H3
InChIKeyDRTDQMAGDUSOLO-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.66
Rot. Bonds10

About 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane

1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane (PubChem CID 129150735) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane.

Molecular Properties

Compound Name1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane
PubChem CID129150735
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane
SMILESC=COCCC(C)(C)OCCC(C)(C)OC=C
InChIInChI=1S/C14H26O3/c1-7-15-11-9-14(5,6)17-12-10-13(3,4)16-8-2/h7-8H,1-2,9-12H2,3-6H3
InChIKeyDRTDQMAGDUSOLO-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane?
The IUPAC name of 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane (CID 129150735) is 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane.
What is the SMILES notation for 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane?
The canonical SMILES for 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane is C=COCCC(C)(C)OCCC(C)(C)OC=C.
What is the InChIKey of 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane?
The InChIKey is DRTDQMAGDUSOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-7-15-11-9-14(5,6)17-12-10-13(3,4)16-8-2/h7-8H,1-2,9-12H2,3-6H3.
What are the key properties of 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane?
1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane has a molecular weight of 242.36 g/mol, XLogP of 3.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane is sourced from PubChem (CID 129150735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).