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

C24H48O6 — CID 151233994

IUPAC3-[tris(3-methoxypropoxy)methyl]undec-1-ene
SMILESC=CC(CCCCCCCC)C(OCCCOC)(OCCCOC)OCCCOC
InChIInChI=1S/C24H48O6/c1-6-8-9-10-11-12-16-23(7-2)24(28-20-13-17-25-3,29-21-14-18-26-4)30-22-15-19-27-5/h7,23H,2,6,8-22H2,1,3-5H3
InChIKeyNOWSABYIRUWLMJ-UHFFFAOYSA-N
MW432.64 g/mol
LogP5.35
Rot. Bonds24

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

3-[tris(3-methoxypropoxy)methyl]undec-1-ene (PubChem CID 151233994) has the molecular formula C24H48O6 and a molecular weight of 432.64 g/mol. Its IUPAC name is 3-[tris(3-methoxypropoxy)methyl]undec-1-ene.

Molecular Properties

Compound Name3-[tris(3-methoxypropoxy)methyl]undec-1-ene
PubChem CID151233994
Molecular FormulaC24H48O6
Molecular Weight432.64 g/mol
Exact Mass432.35
IUPAC Name3-[tris(3-methoxypropoxy)methyl]undec-1-ene
SMILESC=CC(CCCCCCCC)C(OCCCOC)(OCCCOC)OCCCOC
InChIInChI=1S/C24H48O6/c1-6-8-9-10-11-12-16-23(7-2)24(28-20-13-17-25-3,29-21-14-18-26-4)30-22-15-19-27-5/h7,23H,2,6,8-22H2,1,3-5H3
InChIKeyNOWSABYIRUWLMJ-UHFFFAOYSA-N
XLogP5.35
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.64
LogP ≤ 55.35
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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Related Compounds

3-(tributoxymethyl)undec-1-ene
CID 150329897
3-[dihexoxy(methoxy)methyl]undec-1-ene
CID 151120390
1-iodo-4-(tributoxymethyl)dodec-2-ene
CID 150616495
11-(tributoxymethyl)nonadec-1-ene
CID 151298820
3,3-dibutoxy-4-(3-methoxypropyl)dodecane
CID 158251211
(2-ethenyl-1,1-diphenoxydecoxy)benzene
CID 150684790
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
1-methoxyhexacosane
CID 20780514
2,2-diethoxy-3-(2-methoxyethyl)undecane;prop-1-ene
CID 157221541
3-methoxynon-1-ene
CID 12563924
11-decyl-12-ethenyl-11-propyldocosane
CID 150010749
7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
CID 14622045

Frequently Asked Questions

What is the IUPAC name of 3-[tris(3-methoxypropoxy)methyl]undec-1-ene?
The IUPAC name of 3-[tris(3-methoxypropoxy)methyl]undec-1-ene (CID 151233994) is 3-[tris(3-methoxypropoxy)methyl]undec-1-ene.
What is the SMILES notation for 3-[tris(3-methoxypropoxy)methyl]undec-1-ene?
The canonical SMILES for 3-[tris(3-methoxypropoxy)methyl]undec-1-ene is C=CC(CCCCCCCC)C(OCCCOC)(OCCCOC)OCCCOC.
What is the InChIKey of 3-[tris(3-methoxypropoxy)methyl]undec-1-ene?
The InChIKey is NOWSABYIRUWLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O6/c1-6-8-9-10-11-12-16-23(7-2)24(28-20-13-17-25-3,29-21-14-18-26-4)30-22-15-19-27-5/h7,23H,2,6,8-22H2,1,3-5H3.
What are the key properties of 3-[tris(3-methoxypropoxy)methyl]undec-1-ene?
3-[tris(3-methoxypropoxy)methyl]undec-1-ene has a molecular weight of 432.64 g/mol, XLogP of 5.35, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris(3-methoxypropoxy)methyl]undec-1-ene is sourced from PubChem (CID 151233994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).