1-but-1-enoxy-2,2-diethoxyundecane

C19H38O3 — CID 151268806

IUPAC1-but-1-enoxy-2,2-diethoxyundecane
SMILESCCC=COCC(CCCCCCCCC)(OCC)OCC
InChIInChI=1S/C19H38O3/c1-5-9-11-12-13-14-15-16-19(21-7-3,22-8-4)18-20-17-10-6-2/h10,17H,5-9,11-16,18H2,1-4H3
InChIKeyNVXKAFKNVWSCLH-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.84
Rot. Bonds16

About 1-but-1-enoxy-2,2-diethoxyundecane

1-but-1-enoxy-2,2-diethoxyundecane (PubChem CID 151268806) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 1-but-1-enoxy-2,2-diethoxyundecane.

Molecular Properties

Compound Name1-but-1-enoxy-2,2-diethoxyundecane
PubChem CID151268806
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name1-but-1-enoxy-2,2-diethoxyundecane
SMILESCCC=COCC(CCCCCCCCC)(OCC)OCC
InChIInChI=1S/C19H38O3/c1-5-9-11-12-13-14-15-16-19(21-7-3,22-8-4)18-20-17-10-6-2/h10,17H,5-9,11-16,18H2,1-4H3
InChIKeyNVXKAFKNVWSCLH-UHFFFAOYSA-N
XLogP5.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-diethoxyoctane
CID 89440562
4,4-diethoxytridec-1-ene
CID 150818454
1-[(E)-but-1-enoxy]heptane
CID 5366295
4-but-1-enoxy-3,3-diethoxy-4-propyldodecane
CID 151121603
2,2-dimethoxyundecane;1-propoxybut-1-ene
CID 158397642
2,2-diethoxynonane
CID 89439020
3,3-diethoxy-1-propoxydodecane
CID 172848936
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
1-[(E)-but-1-enoxy]butane
CID 5364928
ruthenium;1,1,1-triethoxydecane
CID 157324278
3-ethoxy-3-methyldodec-1-ene
CID 160659750

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enoxy-2,2-diethoxyundecane?
The IUPAC name of 1-but-1-enoxy-2,2-diethoxyundecane (CID 151268806) is 1-but-1-enoxy-2,2-diethoxyundecane.
What is the SMILES notation for 1-but-1-enoxy-2,2-diethoxyundecane?
The canonical SMILES for 1-but-1-enoxy-2,2-diethoxyundecane is CCC=COCC(CCCCCCCCC)(OCC)OCC.
What is the InChIKey of 1-but-1-enoxy-2,2-diethoxyundecane?
The InChIKey is NVXKAFKNVWSCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-5-9-11-12-13-14-15-16-19(21-7-3,22-8-4)18-20-17-10-6-2/h10,17H,5-9,11-16,18H2,1-4H3.
What are the key properties of 1-but-1-enoxy-2,2-diethoxyundecane?
1-but-1-enoxy-2,2-diethoxyundecane has a molecular weight of 314.51 g/mol, XLogP of 5.84, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enoxy-2,2-diethoxyundecane is sourced from PubChem (CID 151268806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).