11-methyl-1-propoxydodecane;propane-1,2-diol

C19H42O3 — CID 88605951

IUPAC11-methyl-1-propoxydodecane;propane-1,2-diol
SMILESCC(O)CO.CCCOCCCCCCCCCCC(C)C
InChIInChI=1S/C16H34O.C3H8O2/c1-4-14-17-15-12-10-8-6-5-7-9-11-13-16(2)3;1-3(5)2-4/h16H,4-15H2,1-3H3;3-5H,2H2,1H3
InChIKeyOEQHNFYYFNWYAP-UHFFFAOYSA-N
MW318.54 g/mol
LogP4.94
Rot. Bonds14

About 11-methyl-1-propoxydodecane;propane-1,2-diol

11-methyl-1-propoxydodecane;propane-1,2-diol (PubChem CID 88605951) has the molecular formula C19H42O3 and a molecular weight of 318.54 g/mol. Its IUPAC name is 11-methyl-1-propoxydodecane;propane-1,2-diol.

Molecular Properties

Compound Name11-methyl-1-propoxydodecane;propane-1,2-diol
PubChem CID88605951
Molecular FormulaC19H42O3
Molecular Weight318.54 g/mol
Exact Mass318.31
IUPAC Name11-methyl-1-propoxydodecane;propane-1,2-diol
SMILESCC(O)CO.CCCOCCCCCCCCCCC(C)C
InChIInChI=1S/C16H34O.C3H8O2/c1-4-14-17-15-12-10-8-6-5-7-9-11-13-16(2)3;1-3(5)2-4/h16H,4-15H2,1-3H3;3-5H,2H2,1H3
InChIKeyOEQHNFYYFNWYAP-UHFFFAOYSA-N
XLogP4.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
3-[2-hydroxy-3-(8-methylnonoxy)propoxy]propane-1,2-diol
CID 71375851
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
22-butoxydocosan-2-ol
CID 88608244
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
1-hexoxyhexane;1-nonoxynonane;tris(propane-1,2,3-triol);1-propoxypropane
CID 174343776
acetic acid;1-hexoxyhexane;propane-1,2-diol
CID 87173314
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
1-ethoxy-17-methyloctadecane
CID 91042875

Frequently Asked Questions

What is the IUPAC name of 11-methyl-1-propoxydodecane;propane-1,2-diol?
The IUPAC name of 11-methyl-1-propoxydodecane;propane-1,2-diol (CID 88605951) is 11-methyl-1-propoxydodecane;propane-1,2-diol.
What is the SMILES notation for 11-methyl-1-propoxydodecane;propane-1,2-diol?
The canonical SMILES for 11-methyl-1-propoxydodecane;propane-1,2-diol is CC(O)CO.CCCOCCCCCCCCCCC(C)C.
What is the InChIKey of 11-methyl-1-propoxydodecane;propane-1,2-diol?
The InChIKey is OEQHNFYYFNWYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.C3H8O2/c1-4-14-17-15-12-10-8-6-5-7-9-11-13-16(2)3;1-3(5)2-4/h16H,4-15H2,1-3H3;3-5H,2H2,1H3.
What are the key properties of 11-methyl-1-propoxydodecane;propane-1,2-diol?
11-methyl-1-propoxydodecane;propane-1,2-diol has a molecular weight of 318.54 g/mol, XLogP of 4.94, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1-propoxydodecane;propane-1,2-diol is sourced from PubChem (CID 88605951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).