5-methyl-5-(trimethoxymethyl)tridecane

C18H38O3 — CID 150316109

IUPAC5-methyl-5-(trimethoxymethyl)tridecane
SMILESCCCCCCCCC(C)(CCCC)C(OC)(OC)OC
InChIInChI=1S/C18H38O3/c1-7-9-11-12-13-14-16-17(3,15-10-8-2)18(19-4,20-5)21-6/h7-16H2,1-6H3
InChIKeyGMQIZDWLZXTQEO-UHFFFAOYSA-N
MW302.50 g/mol
LogP5.53
Rot. Bonds14

About 5-methyl-5-(trimethoxymethyl)tridecane

5-methyl-5-(trimethoxymethyl)tridecane (PubChem CID 150316109) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 5-methyl-5-(trimethoxymethyl)tridecane.

Molecular Properties

Compound Name5-methyl-5-(trimethoxymethyl)tridecane
PubChem CID150316109
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name5-methyl-5-(trimethoxymethyl)tridecane
SMILESCCCCCCCCC(C)(CCCC)C(OC)(OC)OC
InChIInChI=1S/C18H38O3/c1-7-9-11-12-13-14-16-17(3,15-10-8-2)18(19-4,20-5)21-6/h7-16H2,1-6H3
InChIKeyGMQIZDWLZXTQEO-UHFFFAOYSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 55.53
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

4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane
CID 150655273
1,1,1-trimethoxy-2,2-dimethyldecane
CID 150575533
9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
CID 151814653
13-tert-butyl-13-methylpentacosane
CID 91013833
11-methoxy-11-nonyltetracosane
CID 159441841
1,1,1-trimethoxytridecane
CID 102481821
5-fluoro-5-methoxyhexadecane
CID 176907960
3-methoxy-3-methyldodecane
CID 150409844
but-1-ene;4-propyl-4-(trimethoxymethyl)dodecane
CID 158535756
3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine
CID 151262909
5-butyl-5-methylpentadecane
CID 174700907
5,5,6,6-tetramethyltridecane
CID 173349107

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(trimethoxymethyl)tridecane?
The IUPAC name of 5-methyl-5-(trimethoxymethyl)tridecane (CID 150316109) is 5-methyl-5-(trimethoxymethyl)tridecane.
What is the SMILES notation for 5-methyl-5-(trimethoxymethyl)tridecane?
The canonical SMILES for 5-methyl-5-(trimethoxymethyl)tridecane is CCCCCCCCC(C)(CCCC)C(OC)(OC)OC.
What is the InChIKey of 5-methyl-5-(trimethoxymethyl)tridecane?
The InChIKey is GMQIZDWLZXTQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-7-9-11-12-13-14-16-17(3,15-10-8-2)18(19-4,20-5)21-6/h7-16H2,1-6H3.
What are the key properties of 5-methyl-5-(trimethoxymethyl)tridecane?
5-methyl-5-(trimethoxymethyl)tridecane has a molecular weight of 302.50 g/mol, XLogP of 5.53, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(trimethoxymethyl)tridecane is sourced from PubChem (CID 150316109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).