1,4,4-trimethoxytridecane

C16H34O3 — CID 150006661

IUPAC1,4,4-trimethoxytridecane
SMILESCCCCCCCCCC(CCCOC)(OC)OC
InChIInChI=1S/C16H34O3/c1-5-6-7-8-9-10-11-13-16(18-3,19-4)14-12-15-17-2/h5-15H2,1-4H3
InChIKeyDCKSXDBROPMLIO-UHFFFAOYSA-N
MW274.44 g/mol
LogP4.54
Rot. Bonds14

About 1,4,4-trimethoxytridecane

1,4,4-trimethoxytridecane (PubChem CID 150006661) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 1,4,4-trimethoxytridecane.

Molecular Properties

Compound Name1,4,4-trimethoxytridecane
PubChem CID150006661
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name1,4,4-trimethoxytridecane
SMILESCCCCCCCCCC(CCCOC)(OC)OC
InChIInChI=1S/C16H34O3/c1-5-6-7-8-9-10-11-13-16(18-3,19-4)14-12-15-17-2/h5-15H2,1-4H3
InChIKeyDCKSXDBROPMLIO-UHFFFAOYSA-N
XLogP4.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.54
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

1,2,2-trimethoxyundecane
CID 151416745
3,3-dimethoxynonane
CID 14785776
5,5-dimethoxytetradecan-1-amine
CID 150037650
5-methoxy-5-pentoxytetradecane
CID 161410500
1-methoxyhexacosane
CID 20780514
4-[chloro(dimethoxy)methyl]-1-methoxy-4-methyldodecane
CID 150103644
1,1,1-trimethoxytridecane
CID 102481821
azane;1-methoxydodecane
CID 174553670
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448
1-methoxy-3-methyldodecan-3-amine
CID 62620545
9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
CID 151814653
10,10-dipropoxyicosane
CID 150666261

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethoxytridecane?
The IUPAC name of 1,4,4-trimethoxytridecane (CID 150006661) is 1,4,4-trimethoxytridecane.
What is the SMILES notation for 1,4,4-trimethoxytridecane?
The canonical SMILES for 1,4,4-trimethoxytridecane is CCCCCCCCCC(CCCOC)(OC)OC.
What is the InChIKey of 1,4,4-trimethoxytridecane?
The InChIKey is DCKSXDBROPMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-5-6-7-8-9-10-11-13-16(18-3,19-4)14-12-15-17-2/h5-15H2,1-4H3.
What are the key properties of 1,4,4-trimethoxytridecane?
1,4,4-trimethoxytridecane has a molecular weight of 274.44 g/mol, XLogP of 4.54, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethoxytridecane is sourced from PubChem (CID 150006661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).