2,3-bis(ethenoxy)-2-methyldodecane

C17H32O2 — CID 126727073

IUPAC2,3-bis(ethenoxy)-2-methyldodecane
SMILESC=COC(CCCCCCCCC)C(C)(C)OC=C
InChIInChI=1S/C17H32O2/c1-6-9-10-11-12-13-14-15-16(18-7-2)17(4,5)19-8-3/h7-8,16H,2-3,6,9-15H2,1,4-5H3
InChIKeyGCUXTINXXPOBTB-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.59
Rot. Bonds13

About 2,3-bis(ethenoxy)-2-methyldodecane

2,3-bis(ethenoxy)-2-methyldodecane (PubChem CID 126727073) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,3-bis(ethenoxy)-2-methyldodecane.

Molecular Properties

Compound Name2,3-bis(ethenoxy)-2-methyldodecane
PubChem CID126727073
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2,3-bis(ethenoxy)-2-methyldodecane
SMILESC=COC(CCCCCCCCC)C(C)(C)OC=C
InChIInChI=1S/C17H32O2/c1-6-9-10-11-12-13-14-15-16(18-7-2)17(4,5)19-8-3/h7-8,16H,2-3,6,9-15H2,1,4-5H3
InChIKeyGCUXTINXXPOBTB-UHFFFAOYSA-N
XLogP5.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3-bis(ethenoxy)-2-methyldodecane?
The IUPAC name of 2,3-bis(ethenoxy)-2-methyldodecane (CID 126727073) is 2,3-bis(ethenoxy)-2-methyldodecane.
What is the SMILES notation for 2,3-bis(ethenoxy)-2-methyldodecane?
The canonical SMILES for 2,3-bis(ethenoxy)-2-methyldodecane is C=COC(CCCCCCCCC)C(C)(C)OC=C.
What is the InChIKey of 2,3-bis(ethenoxy)-2-methyldodecane?
The InChIKey is GCUXTINXXPOBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-6-9-10-11-12-13-14-15-16(18-7-2)17(4,5)19-8-3/h7-8,16H,2-3,6,9-15H2,1,4-5H3.
What are the key properties of 2,3-bis(ethenoxy)-2-methyldodecane?
2,3-bis(ethenoxy)-2-methyldodecane has a molecular weight of 268.44 g/mol, XLogP of 5.59, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenoxy)-2-methyldodecane is sourced from PubChem (CID 126727073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).