5,5-dimethoxy-6-methyltetradecane

C17H36O2 — CID 150194841

IUPAC5,5-dimethoxy-6-methyltetradecane
SMILESCCCCCCCCC(C)C(CCCC)(OC)OC
InChIInChI=1S/C17H36O2/c1-6-8-10-11-12-13-14-16(3)17(18-4,19-5)15-9-7-2/h16H,6-15H2,1-5H3
InChIKeyFOFLUZFFOQZMNU-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.55
Rot. Bonds13

About 5,5-dimethoxy-6-methyltetradecane

5,5-dimethoxy-6-methyltetradecane (PubChem CID 150194841) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 5,5-dimethoxy-6-methyltetradecane.

Molecular Properties

Compound Name5,5-dimethoxy-6-methyltetradecane
PubChem CID150194841
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name5,5-dimethoxy-6-methyltetradecane
SMILESCCCCCCCCC(C)C(CCCC)(OC)OC
InChIInChI=1S/C17H36O2/c1-6-8-10-11-12-13-14-16(3)17(18-4,19-5)15-9-7-2/h16H,6-15H2,1-5H3
InChIKeyFOFLUZFFOQZMNU-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

10,10-dimethoxy-9-methyloctacosane
CID 151883229
7,7-dimethoxy-8-methylhexadecane
CID 150332936
10,10-dimethoxy-9-methylhenicosane
CID 150642222
4,4-dimethoxy-5-methyltridecanenitrile
CID 151093071
2-methoxy-2,3-dimethylundecane
CID 150941081
1,1,2,2-tetramethoxyoctane
CID 15697911
4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane
CID 150600164
4,4-dimethoxy-5-propyltridecane
CID 151317508
9-butyl-10-methyloctadecan-9-ol
CID 173066845
13-decyl-11-methyl-12-nonyl-12-octyl-13-undecylpentacosane
CID 141153698
2,2,3-trimethylundecane
CID 21285055
4-methyldodecane-3,3-diol
CID 152575890

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxy-6-methyltetradecane?
The IUPAC name of 5,5-dimethoxy-6-methyltetradecane (CID 150194841) is 5,5-dimethoxy-6-methyltetradecane.
What is the SMILES notation for 5,5-dimethoxy-6-methyltetradecane?
The canonical SMILES for 5,5-dimethoxy-6-methyltetradecane is CCCCCCCCC(C)C(CCCC)(OC)OC.
What is the InChIKey of 5,5-dimethoxy-6-methyltetradecane?
The InChIKey is FOFLUZFFOQZMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-6-8-10-11-12-13-14-16(3)17(18-4,19-5)15-9-7-2/h16H,6-15H2,1-5H3.
What are the key properties of 5,5-dimethoxy-6-methyltetradecane?
5,5-dimethoxy-6-methyltetradecane has a molecular weight of 272.47 g/mol, XLogP of 5.55, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxy-6-methyltetradecane is sourced from PubChem (CID 150194841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).