5,8-bis(ethenoxy)dodecane

C16H30O2 — CID 89147987

IUPAC5,8-bis(ethenoxy)dodecane
SMILESC=COC(CCCC)CCC(CCCC)OC=C
InChIInChI=1S/C16H30O2/c1-5-9-11-15(17-7-3)13-14-16(18-8-4)12-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyVPWZHJNRSHXWCM-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.20
Rot. Bonds13

About 5,8-bis(ethenoxy)dodecane

5,8-bis(ethenoxy)dodecane (PubChem CID 89147987) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 5,8-bis(ethenoxy)dodecane.

Molecular Properties

Compound Name5,8-bis(ethenoxy)dodecane
PubChem CID89147987
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name5,8-bis(ethenoxy)dodecane
SMILESC=COC(CCCC)CCC(CCCC)OC=C
InChIInChI=1S/C16H30O2/c1-5-9-11-15(17-7-3)13-14-16(18-8-4)12-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyVPWZHJNRSHXWCM-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-bis(ethenoxy)dodecane?
The IUPAC name of 5,8-bis(ethenoxy)dodecane (CID 89147987) is 5,8-bis(ethenoxy)dodecane.
What is the SMILES notation for 5,8-bis(ethenoxy)dodecane?
The canonical SMILES for 5,8-bis(ethenoxy)dodecane is C=COC(CCCC)CCC(CCCC)OC=C.
What is the InChIKey of 5,8-bis(ethenoxy)dodecane?
The InChIKey is VPWZHJNRSHXWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-5-9-11-15(17-7-3)13-14-16(18-8-4)12-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3.
What are the key properties of 5,8-bis(ethenoxy)dodecane?
5,8-bis(ethenoxy)dodecane has a molecular weight of 254.41 g/mol, XLogP of 5.20, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(ethenoxy)dodecane is sourced from PubChem (CID 89147987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).