5-(butoxy-ethoxy-methoxymethyl)tridecane

C21H44O3 — CID 150034596

IUPAC5-(butoxy-ethoxy-methoxymethyl)tridecane
SMILESCCCCCCCCC(CCCC)C(OC)(OCC)OCCCC
InChIInChI=1S/C21H44O3/c1-6-10-13-14-15-16-18-20(17-11-7-2)21(22-5,23-9-4)24-19-12-8-3/h20H,6-19H2,1-5H3
InChIKeyDHZHVVLXAUDOPR-UHFFFAOYSA-N
MW344.58 g/mol
LogP6.70
Rot. Bonds18

About 5-(butoxy-ethoxy-methoxymethyl)tridecane

5-(butoxy-ethoxy-methoxymethyl)tridecane (PubChem CID 150034596) has the molecular formula C21H44O3 and a molecular weight of 344.58 g/mol. Its IUPAC name is 5-(butoxy-ethoxy-methoxymethyl)tridecane.

Molecular Properties

Compound Name5-(butoxy-ethoxy-methoxymethyl)tridecane
PubChem CID150034596
Molecular FormulaC21H44O3
Molecular Weight344.58 g/mol
Exact Mass344.33
IUPAC Name5-(butoxy-ethoxy-methoxymethyl)tridecane
SMILESCCCCCCCCC(CCCC)C(OC)(OCC)OCCCC
InChIInChI=1S/C21H44O3/c1-6-10-13-14-15-16-18-20(17-11-7-2)21(22-5,23-9-4)24-19-12-8-3/h20H,6-19H2,1-5H3
InChIKeyDHZHVVLXAUDOPR-UHFFFAOYSA-N
XLogP6.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 56.70
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

6-(trimethoxymethyl)tridecane
CID 151806345
1,1,1-tributoxy-2-methyldecane;1,1,1-triethoxy-2-methyldecane
CID 159703510
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
CID 159659931
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
1-propoxy-4-(triethoxymethyl)dodecane
CID 151853083
1-ethylperoxy-4-(triethoxymethyl)dodecane
CID 151956548
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
3-(trimethoxymethyl)undecane
CID 150552650
11-(tributoxymethyl)nonadec-1-ene
CID 151298820
2-methyl-5-(trimethoxymethyl)tridecane
CID 151591018

Frequently Asked Questions

What is the IUPAC name of 5-(butoxy-ethoxy-methoxymethyl)tridecane?
The IUPAC name of 5-(butoxy-ethoxy-methoxymethyl)tridecane (CID 150034596) is 5-(butoxy-ethoxy-methoxymethyl)tridecane.
What is the SMILES notation for 5-(butoxy-ethoxy-methoxymethyl)tridecane?
The canonical SMILES for 5-(butoxy-ethoxy-methoxymethyl)tridecane is CCCCCCCCC(CCCC)C(OC)(OCC)OCCCC.
What is the InChIKey of 5-(butoxy-ethoxy-methoxymethyl)tridecane?
The InChIKey is DHZHVVLXAUDOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3/c1-6-10-13-14-15-16-18-20(17-11-7-2)21(22-5,23-9-4)24-19-12-8-3/h20H,6-19H2,1-5H3.
What are the key properties of 5-(butoxy-ethoxy-methoxymethyl)tridecane?
5-(butoxy-ethoxy-methoxymethyl)tridecane has a molecular weight of 344.58 g/mol, XLogP of 6.70, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butoxy-ethoxy-methoxymethyl)tridecane is sourced from PubChem (CID 150034596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).