4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane

C21H44O4 — CID 150655273

IUPAC4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane
SMILESCCCCCCCC(C)(CCC)C(CCC)(OC)C(OC)(OC)OC
InChIInChI=1S/C21H44O4/c1-9-12-13-14-15-18-19(4,16-10-2)20(22-5,17-11-3)21(23-6,24-7)25-8/h9-18H2,1-8H3
InChIKeyJCSJJSBQVCWCKY-UHFFFAOYSA-N
MW360.58 g/mol
LogP5.93
Rot. Bonds16

About 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane

4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane (PubChem CID 150655273) has the molecular formula C21H44O4 and a molecular weight of 360.58 g/mol. Its IUPAC name is 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane.

Molecular Properties

Compound Name4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane
PubChem CID150655273
Molecular FormulaC21H44O4
Molecular Weight360.58 g/mol
Exact Mass360.32
IUPAC Name4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane
SMILESCCCCCCCC(C)(CCC)C(CCC)(OC)C(OC)(OC)OC
InChIInChI=1S/C21H44O4/c1-9-12-13-14-15-18-19(4,16-10-2)20(22-5,17-11-3)21(23-6,24-7)25-8/h9-18H2,1-8H3
InChIKeyJCSJJSBQVCWCKY-UHFFFAOYSA-N
XLogP5.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-methyl-5-(trimethoxymethyl)tridecane
CID 150316109
1,1,1-trimethoxy-2,2-dimethyldecane
CID 150575533
13-tert-butyl-13-methylpentacosane
CID 91013833
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
but-1-ene;4-propyl-4-(trimethoxymethyl)dodecane
CID 158535756
4-(1,1-dimethoxyethyl)-4-methoxydodecane
CID 151569502
4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane
CID 150103644
9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
CID 151814653

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane?
The IUPAC name of 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane (CID 150655273) is 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane.
What is the SMILES notation for 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane?
The canonical SMILES for 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane is CCCCCCCC(C)(CCC)C(CCC)(OC)C(OC)(OC)OC.
What is the InChIKey of 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane?
The InChIKey is JCSJJSBQVCWCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O4/c1-9-12-13-14-15-18-19(4,16-10-2)20(22-5,17-11-3)21(23-6,24-7)25-8/h9-18H2,1-8H3.
What are the key properties of 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane?
4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane has a molecular weight of 360.58 g/mol, XLogP of 5.93, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane is sourced from PubChem (CID 150655273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).