4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane

C20H40O2 — CID 150875279

IUPAC4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane
SMILESCC=COCCCC(CCCCCCCC)C(C)(C)OCC
InChIInChI=1S/C20H40O2/c1-6-9-10-11-12-13-15-19(20(4,5)22-8-3)16-14-18-21-17-7-2/h7,17,19H,6,8-16,18H2,1-5H3
InChIKeyKUWILGSNZIFAPP-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.50
Rot. Bonds15

About 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane

4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane (PubChem CID 150875279) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane.

Molecular Properties

Compound Name4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane
PubChem CID150875279
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane
SMILESCC=COCCCC(CCCCCCCC)C(C)(C)OCC
InChIInChI=1S/C20H40O2/c1-6-9-10-11-12-13-15-19(20(4,5)22-8-3)16-14-18-21-17-7-2/h7,17,19H,6,8-16,18H2,1-5H3
InChIKeyKUWILGSNZIFAPP-UHFFFAOYSA-N
XLogP6.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.50
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane?
The IUPAC name of 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane (CID 150875279) is 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane.
What is the SMILES notation for 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane?
The canonical SMILES for 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane is CC=COCCCC(CCCCCCCC)C(C)(C)OCC.
What is the InChIKey of 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane?
The InChIKey is KUWILGSNZIFAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-6-9-10-11-12-13-15-19(20(4,5)22-8-3)16-14-18-21-17-7-2/h7,17,19H,6,8-16,18H2,1-5H3.
What are the key properties of 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane?
4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane has a molecular weight of 312.54 g/mol, XLogP of 6.50, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxypropan-2-yl)-1-prop-1-enoxydodecane is sourced from PubChem (CID 150875279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).