2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene

C19H40O2 — CID 160560428

IUPAC2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene
SMILESC=CC.CCCCCCCCC(C)(OC)C(C)(C)OCC
InChIInChI=1S/C16H34O2.C3H6/c1-7-9-10-11-12-13-14-16(5,17-6)15(3,4)18-8-2;1-3-2/h7-14H2,1-6H3;3H,1H2,2H3
InChIKeyQZFSRLTVBMPUMA-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.15
Rot. Bonds11

About 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene

2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene (PubChem CID 160560428) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene.

Molecular Properties

Compound Name2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene
PubChem CID160560428
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene
SMILESC=CC.CCCCCCCCC(C)(OC)C(C)(C)OCC
InChIInChI=1S/C16H34O2.C3H6/c1-7-9-10-11-12-13-14-16(5,17-6)15(3,4)18-8-2;1-3-2/h7-14H2,1-6H3;3H,1H2,2H3
InChIKeyQZFSRLTVBMPUMA-UHFFFAOYSA-N
XLogP6.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene?
The IUPAC name of 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene (CID 160560428) is 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene.
What is the SMILES notation for 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene?
The canonical SMILES for 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene is C=CC.CCCCCCCCC(C)(OC)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene?
The InChIKey is QZFSRLTVBMPUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2.C3H6/c1-7-9-10-11-12-13-14-16(5,17-6)15(3,4)18-8-2;1-3-2/h7-14H2,1-6H3;3H,1H2,2H3.
What are the key properties of 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene?
2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene has a molecular weight of 300.53 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methoxy-2,3-dimethylundecane;prop-1-ene is sourced from PubChem (CID 160560428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).