4-(1,1-dimethoxyethyl)-4-methoxydodecane

C17H36O3 — CID 151569502

IUPAC4-(1,1-dimethoxyethyl)-4-methoxydodecane
SMILESCCCCCCCCC(CCC)(OC)C(C)(OC)OC
InChIInChI=1S/C17H36O3/c1-7-9-10-11-12-13-15-17(20-6,14-8-2)16(3,18-4)19-5/h7-15H2,1-6H3
InChIKeyQEDOZIUEVIKQOF-UHFFFAOYSA-N
MW288.47 g/mol
LogP4.93
Rot. Bonds13

About 4-(1,1-dimethoxyethyl)-4-methoxydodecane

4-(1,1-dimethoxyethyl)-4-methoxydodecane (PubChem CID 151569502) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 4-(1,1-dimethoxyethyl)-4-methoxydodecane.

Molecular Properties

Compound Name4-(1,1-dimethoxyethyl)-4-methoxydodecane
PubChem CID151569502
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name4-(1,1-dimethoxyethyl)-4-methoxydodecane
SMILESCCCCCCCCC(CCC)(OC)C(C)(OC)OC
InChIInChI=1S/C17H36O3/c1-7-9-10-11-12-13-15-17(20-6,14-8-2)16(3,18-4)19-5/h7-15H2,1-6H3
InChIKeyQEDOZIUEVIKQOF-UHFFFAOYSA-N
XLogP4.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

10-methoxy-10-propylicosane
CID 158279749
10-methoxy-10-propyltricosane
CID 159618690
11-methoxy-11-nonyltetracosane
CID 159441841
1,1,1-trimethoxytridecane
CID 102481821
3-methoxy-3-methyldodecane
CID 150409844
1,1,1-trimethoxy-2,2-dimethyldecane
CID 150575533
azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine
CID 172681094
4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane
CID 150655273
5-methyl-5-(trimethoxymethyl)tridecane
CID 150316109
5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene
CID 151382916
6,6-dimethoxyheptyl-dimethyl-octadecylazanium
CID 54467636
3-ethyl-3-methoxydecane
CID 89190150

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dimethoxyethyl)-4-methoxydodecane?
The IUPAC name of 4-(1,1-dimethoxyethyl)-4-methoxydodecane (CID 151569502) is 4-(1,1-dimethoxyethyl)-4-methoxydodecane.
What is the SMILES notation for 4-(1,1-dimethoxyethyl)-4-methoxydodecane?
The canonical SMILES for 4-(1,1-dimethoxyethyl)-4-methoxydodecane is CCCCCCCCC(CCC)(OC)C(C)(OC)OC.
What is the InChIKey of 4-(1,1-dimethoxyethyl)-4-methoxydodecane?
The InChIKey is QEDOZIUEVIKQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-7-9-10-11-12-13-15-17(20-6,14-8-2)16(3,18-4)19-5/h7-15H2,1-6H3.
What are the key properties of 4-(1,1-dimethoxyethyl)-4-methoxydodecane?
4-(1,1-dimethoxyethyl)-4-methoxydodecane has a molecular weight of 288.47 g/mol, XLogP of 4.93, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dimethoxyethyl)-4-methoxydodecane is sourced from PubChem (CID 151569502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).