4-(chloromethyl)tridecane

C14H29Cl — CID 66033644

IUPAC4-(chloromethyl)tridecane
SMILESCCCCCCCCCC(CCl)CCC
InChIInChI=1S/C14H29Cl/c1-3-5-6-7-8-9-10-12-14(13-15)11-4-2/h14H,3-13H2,1-2H3
InChIKeyAYQYJTTXPINDAQ-UHFFFAOYSA-N
MW232.84 g/mol
LogP5.78
Rot. Bonds11

About 4-(chloromethyl)tridecane

4-(chloromethyl)tridecane (PubChem CID 66033644) has the molecular formula C14H29Cl and a molecular weight of 232.84 g/mol. Its IUPAC name is 4-(chloromethyl)tridecane.

Molecular Properties

Compound Name4-(chloromethyl)tridecane
PubChem CID66033644
Molecular FormulaC14H29Cl
Molecular Weight232.84 g/mol
Exact Mass232.20
IUPAC Name4-(chloromethyl)tridecane
SMILESCCCCCCCCCC(CCl)CCC
InChIInChI=1S/C14H29Cl/c1-3-5-6-7-8-9-10-12-14(13-15)11-4-2/h14H,3-13H2,1-2H3
InChIKeyAYQYJTTXPINDAQ-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.84
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(chloromethyl)undecane
CID 79448197
13-(chloromethyl)pentacosane;N,N-dimethylmethanamine
CID 87988252
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
5-propylpentacosane
CID 91493421
4-(chloromethyl)-2-methyltridecane
CID 66035866
7,9-dipropylhexadecane
CID 91047634

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)tridecane?
The IUPAC name of 4-(chloromethyl)tridecane (CID 66033644) is 4-(chloromethyl)tridecane.
What is the SMILES notation for 4-(chloromethyl)tridecane?
The canonical SMILES for 4-(chloromethyl)tridecane is CCCCCCCCCC(CCl)CCC.
What is the InChIKey of 4-(chloromethyl)tridecane?
The InChIKey is AYQYJTTXPINDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Cl/c1-3-5-6-7-8-9-10-12-14(13-15)11-4-2/h14H,3-13H2,1-2H3.
What are the key properties of 4-(chloromethyl)tridecane?
4-(chloromethyl)tridecane has a molecular weight of 232.84 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)tridecane is sourced from PubChem (CID 66033644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).