2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane

C19H38O2 — CID 151466540

IUPAC2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane
SMILESCC=COCCC(CCCCCCCC)C(C)(C)OCC
InChIInChI=1S/C19H38O2/c1-6-9-10-11-12-13-14-18(15-17-20-16-7-2)19(4,5)21-8-3/h7,16,18H,6,8-15,17H2,1-5H3
InChIKeyPJOPHMHIBMVTGV-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.11
Rot. Bonds14

About 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane

2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane (PubChem CID 151466540) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane.

Molecular Properties

Compound Name2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane
PubChem CID151466540
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane
SMILESCC=COCCC(CCCCCCCC)C(C)(C)OCC
InChIInChI=1S/C19H38O2/c1-6-9-10-11-12-13-14-18(15-17-20-16-7-2)19(4,5)21-8-3/h7,16,18H,6,8-15,17H2,1-5H3
InChIKeyPJOPHMHIBMVTGV-UHFFFAOYSA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.11
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 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane?
The IUPAC name of 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane (CID 151466540) is 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane.
What is the SMILES notation for 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane?
The canonical SMILES for 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane is CC=COCCC(CCCCCCCC)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane?
The InChIKey is PJOPHMHIBMVTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-6-9-10-11-12-13-14-18(15-17-20-16-7-2)19(4,5)21-8-3/h7,16,18H,6,8-15,17H2,1-5H3.
What are the key properties of 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane?
2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane has a molecular weight of 298.51 g/mol, XLogP of 6.11, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-3-(2-prop-1-enoxyethyl)undecane is sourced from PubChem (CID 151466540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).