4-(dichloromethoxy)-4-methoxytridecane

C15H30Cl2O2 — CID 157145809

IUPAC4-(dichloromethoxy)-4-methoxytridecane
SMILESCCCCCCCCCC(CCC)(OC)OC(Cl)Cl
InChIInChI=1S/C15H30Cl2O2/c1-4-6-7-8-9-10-11-13-15(18-3,12-5-2)19-14(16)17/h14H,4-13H2,1-3H3
InChIKeyAKROTLHEBQNRJB-UHFFFAOYSA-N
MW313.31 g/mol
LogP6.05
Rot. Bonds13

About 4-(dichloromethoxy)-4-methoxytridecane

4-(dichloromethoxy)-4-methoxytridecane (PubChem CID 157145809) has the molecular formula C15H30Cl2O2 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-(dichloromethoxy)-4-methoxytridecane.

Molecular Properties

Compound Name4-(dichloromethoxy)-4-methoxytridecane
PubChem CID157145809
Molecular FormulaC15H30Cl2O2
Molecular Weight313.31 g/mol
Exact Mass312.16
IUPAC Name4-(dichloromethoxy)-4-methoxytridecane
SMILESCCCCCCCCCC(CCC)(OC)OC(Cl)Cl
InChIInChI=1S/C15H30Cl2O2/c1-4-6-7-8-9-10-11-13-15(18-3,12-5-2)19-14(16)17/h14H,4-13H2,1-3H3
InChIKeyAKROTLHEBQNRJB-UHFFFAOYSA-N
XLogP6.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.31
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethoxynonane
CID 14785776
1,2,2-trimethoxyundecane
CID 151416745
5,5-dimethoxytetradecan-1-amine
CID 150037650
1,4,4-trimethoxytridecane
CID 150006661
1,1,1-trimethoxytridecane
CID 102481821
5-methoxy-5-pentoxytetradecane
CID 161410500
5,5-di(propan-2-yloxy)tetradecane
CID 150108162
decane;dichloro(dichloromethoxy)methanol
CID 159576126
4,4-dipentoxytridecane
CID 150402661
10-methoxy-10-propyltricosane
CID 159618690
10-methoxy-10-propylicosane
CID 158279749
11-methoxy-11-nonyltetracosane
CID 159441841

Frequently Asked Questions

What is the IUPAC name of 4-(dichloromethoxy)-4-methoxytridecane?
The IUPAC name of 4-(dichloromethoxy)-4-methoxytridecane (CID 157145809) is 4-(dichloromethoxy)-4-methoxytridecane.
What is the SMILES notation for 4-(dichloromethoxy)-4-methoxytridecane?
The canonical SMILES for 4-(dichloromethoxy)-4-methoxytridecane is CCCCCCCCCC(CCC)(OC)OC(Cl)Cl.
What is the InChIKey of 4-(dichloromethoxy)-4-methoxytridecane?
The InChIKey is AKROTLHEBQNRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30Cl2O2/c1-4-6-7-8-9-10-11-13-15(18-3,12-5-2)19-14(16)17/h14H,4-13H2,1-3H3.
What are the key properties of 4-(dichloromethoxy)-4-methoxytridecane?
4-(dichloromethoxy)-4-methoxytridecane has a molecular weight of 313.31 g/mol, XLogP of 6.05, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethoxy)-4-methoxytridecane is sourced from PubChem (CID 157145809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).