2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine

C14H24ClN3O2 — CID 63505127

IUPAC2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
SMILESCCCCCCCCOc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C14H24ClN3O2/c1-4-5-6-7-8-9-10-19-13-16-12(15)17-14(18-13)20-11(2)3/h11H,4-10H2,1-3H3
InChIKeyRXMICFHNLTWCNV-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.05
Rot. Bonds10

About 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 63505127) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
PubChem CID63505127
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
SMILESCCCCCCCCOc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C14H24ClN3O2/c1-4-5-6-7-8-9-10-19-13-16-12(15)17-14(18-13)20-11(2)3/h11H,4-10H2,1-3H3
InChIKeyRXMICFHNLTWCNV-UHFFFAOYSA-N
XLogP4.05
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine (CID 63505127) is 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine is CCCCCCCCOc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is RXMICFHNLTWCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-4-5-6-7-8-9-10-19-13-16-12(15)17-14(18-13)20-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 301.82 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 63505127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).