11-(tributoxymethyl)nonadec-1-ene

C32H64O3 — CID 151298820

IUPAC11-(tributoxymethyl)nonadec-1-ene
SMILESC=CCCCCCCCCC(CCCCCCCC)C(OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C32H64O3/c1-6-11-16-18-20-21-23-25-27-31(26-24-22-19-17-12-7-2)32(33-28-13-8-3,34-29-14-9-4)35-30-15-10-5/h6,31H,1,7-30H2,2-5H3
InChIKeyOBZJYZORQNKRMA-UHFFFAOYSA-N
MW496.86 g/mol
LogP10.76
Rot. Bonds29

About 11-(tributoxymethyl)nonadec-1-ene

11-(tributoxymethyl)nonadec-1-ene (PubChem CID 151298820) has the molecular formula C32H64O3 and a molecular weight of 496.86 g/mol. Its IUPAC name is 11-(tributoxymethyl)nonadec-1-ene.

Molecular Properties

Compound Name11-(tributoxymethyl)nonadec-1-ene
PubChem CID151298820
Molecular FormulaC32H64O3
Molecular Weight496.86 g/mol
Exact Mass496.49
IUPAC Name11-(tributoxymethyl)nonadec-1-ene
SMILESC=CCCCCCCCCC(CCCCCCCC)C(OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C32H64O3/c1-6-11-16-18-20-21-23-25-27-31(26-24-22-19-17-12-7-2)32(33-28-13-8-3,34-29-14-9-4)35-30-15-10-5/h6,31H,1,7-30H2,2-5H3
InChIKeyOBZJYZORQNKRMA-UHFFFAOYSA-N
XLogP10.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.86
LogP ≤ 510.76
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

11-(triethoxymethyl)nonadec-1-ene
CID 150184812
3-(tributoxymethyl)undec-1-ene
CID 150329897
1-prop-1-enoxy-4-(tributoxymethyl)dodecane
CID 150147229
12-pentyltricosa-1,22-diene
CID 102409743
7-pentyltridec-1-ene
CID 123620244
26-heptadecylnonapentacont-1-ene
CID 123445046
1-iodo-4-(tripropoxymethyl)dodecane
CID 151194630
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596
octadecane;octadec-1-ene
CID 162018238
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514

Frequently Asked Questions

What is the IUPAC name of 11-(tributoxymethyl)nonadec-1-ene?
The IUPAC name of 11-(tributoxymethyl)nonadec-1-ene (CID 151298820) is 11-(tributoxymethyl)nonadec-1-ene.
What is the SMILES notation for 11-(tributoxymethyl)nonadec-1-ene?
The canonical SMILES for 11-(tributoxymethyl)nonadec-1-ene is C=CCCCCCCCCC(CCCCCCCC)C(OCCCC)(OCCCC)OCCCC.
What is the InChIKey of 11-(tributoxymethyl)nonadec-1-ene?
The InChIKey is OBZJYZORQNKRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O3/c1-6-11-16-18-20-21-23-25-27-31(26-24-22-19-17-12-7-2)32(33-28-13-8-3,34-29-14-9-4)35-30-15-10-5/h6,31H,1,7-30H2,2-5H3.
What are the key properties of 11-(tributoxymethyl)nonadec-1-ene?
11-(tributoxymethyl)nonadec-1-ene has a molecular weight of 496.86 g/mol, XLogP of 10.76, 29 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(tributoxymethyl)nonadec-1-ene is sourced from PubChem (CID 151298820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).