9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene

C28H54O — CID 57154509

IUPAC9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene
SMILESCCCCC(=CCCC(CC)COCC(CC)CCC=C(CC)CCCC)CC
InChIInChI=1S/C28H54O/c1-7-13-17-25(9-3)19-15-21-27(11-5)23-29-24-28(12-6)22-16-20-26(10-4)18-14-8-2/h19-20,27-28H,7-18,21-24H2,1-6H3
InChIKeyCPPAPTQWGHYFOH-UHFFFAOYSA-N
MW406.74 g/mol
LogP9.67
Rot. Bonds20

About 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene

9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene (PubChem CID 57154509) has the molecular formula C28H54O and a molecular weight of 406.74 g/mol. Its IUPAC name is 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene.

Molecular Properties

Compound Name9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene
PubChem CID57154509
Molecular FormulaC28H54O
Molecular Weight406.74 g/mol
Exact Mass406.42
IUPAC Name9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene
SMILESCCCCC(=CCCC(CC)COCC(CC)CCC=C(CC)CCCC)CC
InChIInChI=1S/C28H54O/c1-7-13-17-25(9-3)19-15-21-27(11-5)23-29-24-28(12-6)22-16-20-26(10-4)18-14-8-2/h19-20,27-28H,7-18,21-24H2,1-6H3
InChIKeyCPPAPTQWGHYFOH-UHFFFAOYSA-N
XLogP9.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene?
The IUPAC name of 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene (CID 57154509) is 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene.
What is the SMILES notation for 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene?
The canonical SMILES for 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene is CCCCC(=CCCC(CC)COCC(CC)CCC=C(CC)CCCC)CC.
What is the InChIKey of 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene?
The InChIKey is CPPAPTQWGHYFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O/c1-7-13-17-25(9-3)19-15-21-27(11-5)23-29-24-28(12-6)22-16-20-26(10-4)18-14-8-2/h19-20,27-28H,7-18,21-24H2,1-6H3.
What are the key properties of 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene?
9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene has a molecular weight of 406.74 g/mol, XLogP of 9.67, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-diethyldec-5-enoxymethyl)-5-ethylundec-5-ene is sourced from PubChem (CID 57154509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).