3-(tributoxymethyl)undec-1-ene

C24H48O3 — CID 150329897

IUPAC3-(tributoxymethyl)undec-1-ene
SMILESC=CC(CCCCCCCC)C(OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C24H48O3/c1-6-11-15-16-17-18-19-23(10-5)24(25-20-12-7-2,26-21-13-8-3)27-22-14-9-4/h10,23H,5-9,11-22H2,1-4H3
InChIKeyGPLCCGHTAZKRTO-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.64
Rot. Bonds21

About 3-(tributoxymethyl)undec-1-ene

3-(tributoxymethyl)undec-1-ene (PubChem CID 150329897) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 3-(tributoxymethyl)undec-1-ene.

Molecular Properties

Compound Name3-(tributoxymethyl)undec-1-ene
PubChem CID150329897
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name3-(tributoxymethyl)undec-1-ene
SMILESC=CC(CCCCCCCC)C(OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C24H48O3/c1-6-11-15-16-17-18-19-23(10-5)24(25-20-12-7-2,26-21-13-8-3)27-22-14-9-4/h10,23H,5-9,11-22H2,1-4H3
InChIKeyGPLCCGHTAZKRTO-UHFFFAOYSA-N
XLogP7.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[tris(3-methoxypropoxy)methyl]undec-1-ene
CID 151233994
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
1,1,1-tributoxy-2-methyldecane;1,1,1-triethoxy-2-methyldecane
CID 159703510
(2-ethenyl-1,1-diphenoxydecoxy)benzene
CID 150684790
11-decyl-12-ethenyl-11-propyldocosane
CID 150010749
7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
CID 14622045
1-prop-1-enoxy-4-(tributoxymethyl)dodecane
CID 150147229
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596
2-ethenyldecane-1,1,1-tricarboxylic acid
CID 151254159
3-ethenylnon-1-ene
CID 123641938

Frequently Asked Questions

What is the IUPAC name of 3-(tributoxymethyl)undec-1-ene?
The IUPAC name of 3-(tributoxymethyl)undec-1-ene (CID 150329897) is 3-(tributoxymethyl)undec-1-ene.
What is the SMILES notation for 3-(tributoxymethyl)undec-1-ene?
The canonical SMILES for 3-(tributoxymethyl)undec-1-ene is C=CC(CCCCCCCC)C(OCCCC)(OCCCC)OCCCC.
What is the InChIKey of 3-(tributoxymethyl)undec-1-ene?
The InChIKey is GPLCCGHTAZKRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-6-11-15-16-17-18-19-23(10-5)24(25-20-12-7-2,26-21-13-8-3)27-22-14-9-4/h10,23H,5-9,11-22H2,1-4H3.
What are the key properties of 3-(tributoxymethyl)undec-1-ene?
3-(tributoxymethyl)undec-1-ene has a molecular weight of 384.65 g/mol, XLogP of 7.64, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tributoxymethyl)undec-1-ene is sourced from PubChem (CID 150329897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).