3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol

C18H32O3 — CID 54390594

IUPAC3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOCC(O)CO
InChIInChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3
InChIKeyVGIZXGYRSPTVQF-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.78
Rot. Bonds11

About 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol

3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol (PubChem CID 54390594) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol
PubChem CID54390594
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCOCC(O)CO
InChIInChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3
InChIKeyVGIZXGYRSPTVQF-UHFFFAOYSA-N
XLogP3.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol?
The IUPAC name of 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol (CID 54390594) is 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol.
What is the SMILES notation for 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol?
The canonical SMILES for 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol is CC(C)=CCCC(C)=CCCC(C)=CCOCC(O)CO.
What is the InChIKey of 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol?
The InChIKey is VGIZXGYRSPTVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3.
What are the key properties of 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol?
3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol has a molecular weight of 296.45 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)propane-1,2-diol is sourced from PubChem (CID 54390594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).