3-[tris(ethoxymethoxy)methyl]undec-1-ene

C21H42O6 — CID 150987711

IUPAC3-[tris(ethoxymethoxy)methyl]undec-1-ene
SMILESC=CC(CCCCCCCC)C(OCOCC)(OCOCC)OCOCC
InChIInChI=1S/C21H42O6/c1-6-11-12-13-14-15-16-20(7-2)21(25-17-22-8-3,26-18-23-9-4)27-19-24-10-5/h7,20H,2,6,8-19H2,1,3-5H3
InChIKeyLRLBBIDLIMSRSR-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.22
Rot. Bonds21

About 3-[tris(ethoxymethoxy)methyl]undec-1-ene

3-[tris(ethoxymethoxy)methyl]undec-1-ene (PubChem CID 150987711) has the molecular formula C21H42O6 and a molecular weight of 390.56 g/mol. Its IUPAC name is 3-[tris(ethoxymethoxy)methyl]undec-1-ene.

Molecular Properties

Compound Name3-[tris(ethoxymethoxy)methyl]undec-1-ene
PubChem CID150987711
Molecular FormulaC21H42O6
Molecular Weight390.56 g/mol
Exact Mass390.30
IUPAC Name3-[tris(ethoxymethoxy)methyl]undec-1-ene
SMILESC=CC(CCCCCCCC)C(OCOCC)(OCOCC)OCOCC
InChIInChI=1S/C21H42O6/c1-6-11-12-13-14-15-16-20(7-2)21(25-17-22-8-3,26-18-23-9-4)27-19-24-10-5/h7,20H,2,6,8-19H2,1,3-5H3
InChIKeyLRLBBIDLIMSRSR-UHFFFAOYSA-N
XLogP5.22
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tris(ethoxymethoxy)methyl]undec-1-ene?
The IUPAC name of 3-[tris(ethoxymethoxy)methyl]undec-1-ene (CID 150987711) is 3-[tris(ethoxymethoxy)methyl]undec-1-ene.
What is the SMILES notation for 3-[tris(ethoxymethoxy)methyl]undec-1-ene?
The canonical SMILES for 3-[tris(ethoxymethoxy)methyl]undec-1-ene is C=CC(CCCCCCCC)C(OCOCC)(OCOCC)OCOCC.
What is the InChIKey of 3-[tris(ethoxymethoxy)methyl]undec-1-ene?
The InChIKey is LRLBBIDLIMSRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O6/c1-6-11-12-13-14-15-16-20(7-2)21(25-17-22-8-3,26-18-23-9-4)27-19-24-10-5/h7,20H,2,6,8-19H2,1,3-5H3.
What are the key properties of 3-[tris(ethoxymethoxy)methyl]undec-1-ene?
3-[tris(ethoxymethoxy)methyl]undec-1-ene has a molecular weight of 390.56 g/mol, XLogP of 5.22, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris(ethoxymethoxy)methyl]undec-1-ene is sourced from PubChem (CID 150987711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).