6-(trimethoxymethyl)tridecane

C17H36O3 — CID 151806345

IUPAC6-(trimethoxymethyl)tridecane
SMILESCCCCCCCC(CCCCC)C(OC)(OC)OC
InChIInChI=1S/C17H36O3/c1-6-8-10-11-13-15-16(14-12-9-7-2)17(18-3,19-4)20-5/h16H,6-15H2,1-5H3
InChIKeyRZRNLZZOLQVQED-UHFFFAOYSA-N
MW288.47 g/mol
LogP5.14
Rot. Bonds14

About 6-(trimethoxymethyl)tridecane

6-(trimethoxymethyl)tridecane (PubChem CID 151806345) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 6-(trimethoxymethyl)tridecane.

Molecular Properties

Compound Name6-(trimethoxymethyl)tridecane
PubChem CID151806345
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name6-(trimethoxymethyl)tridecane
SMILESCCCCCCCC(CCCCC)C(OC)(OC)OC
InChIInChI=1S/C17H36O3/c1-6-8-10-11-13-15-16(14-12-9-7-2)17(18-3,19-4)20-5/h16H,6-15H2,1-5H3
InChIKeyRZRNLZZOLQVQED-UHFFFAOYSA-N
XLogP5.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.14
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-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
3-(trimethoxymethyl)undecane
CID 150552650
2-methyl-5-(trimethoxymethyl)tridecane
CID 151591018
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
1-methylsulfanyl-4-(trimethoxymethyl)dodecane
CID 150283206
2-methyl-4-(trimethoxymethyl)dodecane
CID 150841512
1-sulfonyl-4-(trimethoxymethyl)dodecane
CID 151131414
N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
CID 150981687
1,1,1,2,2,3,3-heptafluoro-6-(trimethoxymethyl)tetradecane
CID 150818115
N,N-bis(2-methylpropyl)-4-(trimethoxymethyl)dodecan-1-amine
CID 150947658
3-(trimethoxymethyl)decylbenzene
CID 151123781

Frequently Asked Questions

What is the IUPAC name of 6-(trimethoxymethyl)tridecane?
The IUPAC name of 6-(trimethoxymethyl)tridecane (CID 151806345) is 6-(trimethoxymethyl)tridecane.
What is the SMILES notation for 6-(trimethoxymethyl)tridecane?
The canonical SMILES for 6-(trimethoxymethyl)tridecane is CCCCCCCC(CCCCC)C(OC)(OC)OC.
What is the InChIKey of 6-(trimethoxymethyl)tridecane?
The InChIKey is RZRNLZZOLQVQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-6-8-10-11-13-15-16(14-12-9-7-2)17(18-3,19-4)20-5/h16H,6-15H2,1-5H3.
What are the key properties of 6-(trimethoxymethyl)tridecane?
6-(trimethoxymethyl)tridecane has a molecular weight of 288.47 g/mol, XLogP of 5.14, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trimethoxymethyl)tridecane is sourced from PubChem (CID 151806345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).