9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane

C25H50O2 — CID 151757879

IUPAC9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane
SMILESCC=COCCCCCCCCC(CCCCCCCC)C(C)(C)OCC
InChIInChI=1S/C25H50O2/c1-6-9-10-11-14-17-20-24(25(4,5)27-8-3)21-18-15-12-13-16-19-23-26-22-7-2/h7,22,24H,6,8-21,23H2,1-5H3
InChIKeyRPXSYYAQSJCABA-UHFFFAOYSA-N
MW382.67 g/mol
LogP8.45
Rot. Bonds20

About 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane

9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane (PubChem CID 151757879) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane.

Molecular Properties

Compound Name9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane
PubChem CID151757879
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Name9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane
SMILESCC=COCCCCCCCCC(CCCCCCCC)C(C)(C)OCC
InChIInChI=1S/C25H50O2/c1-6-9-10-11-14-17-20-24(25(4,5)27-8-3)21-18-15-12-13-16-19-23-26-22-7-2/h7,22,24H,6,8-21,23H2,1-5H3
InChIKeyRPXSYYAQSJCABA-UHFFFAOYSA-N
XLogP8.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
CID 14622045
Prop-1-enoxymethylcyclododecane
CID 54007413
[(Z)-prop-1-enoxy]methylcyclododecane
CID 70555643
11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene
CID 89355516
8-(Ethoxymethyl)-7-ethyl-9-(6-ethyloct-1-enoxy)dec-1-ene
CID 90848441
8-(1-Butoxyethyl)-9-(6-ethyloct-1-enoxy)dodec-1-ene
CID 91109550
6,10,14-Trimethyl-1-prop-1-en-2-yloxypentadecane
CID 123420659
1,13-Bis(ethenoxy)-7-(2-ethenoxypropan-2-yl)-2,2,12,12-tetramethyltridecane
CID 126727092
3-Ethoxy-3-ethyl-4-(3-prop-1-enoxypropyl)dodecane
CID 149701824
4-But-1-enoxy-4-(2-methoxypropan-2-yl)dodecane
CID 149743434
3,3-Diethyl-2-methyl-1-prop-1-enoxydecane
CID 149828748
(4R)-5-methyl-4-prop-1-enoxy-4-(trimethoxymethyl)dodecane
CID 149979291

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane?
The IUPAC name of 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane (CID 151757879) is 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane.
What is the SMILES notation for 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane?
The canonical SMILES for 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane is CC=COCCCCCCCCC(CCCCCCCC)C(C)(C)OCC.
What is the InChIKey of 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane?
The InChIKey is RPXSYYAQSJCABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2/c1-6-9-10-11-14-17-20-24(25(4,5)27-8-3)21-18-15-12-13-16-19-23-26-22-7-2/h7,22,24H,6,8-21,23H2,1-5H3.
What are the key properties of 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane?
9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane has a molecular weight of 382.67 g/mol, XLogP of 8.45, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethoxypropan-2-yl)-1-prop-1-enoxyheptadecane is sourced from PubChem (CID 151757879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).