1,1-bis(ethenoxy)octadecane

C22H42O2 — CID 19822568

IUPAC1,1-bis(ethenoxy)octadecane
SMILESC=COC(CCCCCCCCCCCCCCCCC)OC=C
InChIInChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23-5-2)24-6-3/h5-6,22H,2-4,7-21H2,1H3
InChIKeyHJBDUKOSCLGKRS-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.89
Rot. Bonds20

About 1,1-bis(ethenoxy)octadecane

1,1-bis(ethenoxy)octadecane (PubChem CID 19822568) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 1,1-bis(ethenoxy)octadecane.

Molecular Properties

Compound Name1,1-bis(ethenoxy)octadecane
PubChem CID19822568
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name1,1-bis(ethenoxy)octadecane
SMILESC=COC(CCCCCCCCCCCCCCCCC)OC=C
InChIInChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23-5-2)24-6-3/h5-6,22H,2-4,7-21H2,1H3
InChIKeyHJBDUKOSCLGKRS-UHFFFAOYSA-N
XLogP7.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.89
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(prop-2-enoxy)nonane
CID 123908723
4-ethenoxyundec-1-ene
CID 101420327
1-(1-ethenoxypropoxy)dec-1-ene
CID 74010568
1,1-dimethoxytetradecane
CID 13265409
3-ethenoxy-1,1,1-trimethoxytridecane
CID 152669941
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323
5-ethenoxy-13-prop-2-enoxyheptadecane
CID 126747600
3-ethenylnon-1-ene
CID 123641938
1,1-dihydroperoxydecane
CID 54541536
10-ethenylnonadecane
CID 57244946
1-ethenoxybutyl 20-[1-[[20-(1-ethenoxybutoxy)-10,11-dioctyl-20-oxoicosanoyl]amino]ethylamino]-10,11-dioctyl-20-oxoicosanoate
CID 89031725

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethenoxy)octadecane?
The IUPAC name of 1,1-bis(ethenoxy)octadecane (CID 19822568) is 1,1-bis(ethenoxy)octadecane.
What is the SMILES notation for 1,1-bis(ethenoxy)octadecane?
The canonical SMILES for 1,1-bis(ethenoxy)octadecane is C=COC(CCCCCCCCCCCCCCCCC)OC=C.
What is the InChIKey of 1,1-bis(ethenoxy)octadecane?
The InChIKey is HJBDUKOSCLGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23-5-2)24-6-3/h5-6,22H,2-4,7-21H2,1H3.
What are the key properties of 1,1-bis(ethenoxy)octadecane?
1,1-bis(ethenoxy)octadecane has a molecular weight of 338.58 g/mol, XLogP of 7.89, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethenoxy)octadecane is sourced from PubChem (CID 19822568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).