7-(3-chloropropyl)-7-methyltridecane

C17H35Cl — CID 135291324

IUPAC7-(3-chloropropyl)-7-methyltridecane
SMILESCCCCCCC(C)(CCCCl)CCCCCC
InChIInChI=1S/C17H35Cl/c1-4-6-8-10-13-17(3,15-12-16-18)14-11-9-7-5-2/h4-16H2,1-3H3
InChIKeyNAKSWEPGIHCPPI-UHFFFAOYSA-N
MW274.92 g/mol
LogP6.95
Rot. Bonds13

About 7-(3-chloropropyl)-7-methyltridecane

7-(3-chloropropyl)-7-methyltridecane (PubChem CID 135291324) has the molecular formula C17H35Cl and a molecular weight of 274.92 g/mol. Its IUPAC name is 7-(3-chloropropyl)-7-methyltridecane.

Molecular Properties

Compound Name7-(3-chloropropyl)-7-methyltridecane
PubChem CID135291324
Molecular FormulaC17H35Cl
Molecular Weight274.92 g/mol
Exact Mass274.24
IUPAC Name7-(3-chloropropyl)-7-methyltridecane
SMILESCCCCCCC(C)(CCCCl)CCCCCC
InChIInChI=1S/C17H35Cl/c1-4-6-8-10-13-17(3,15-12-16-18)14-11-9-7-5-2/h4-16H2,1-3H3
InChIKeyNAKSWEPGIHCPPI-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.92
LogP ≤ 56.95
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

11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
5-butyl-5-methylpentadecane
CID 174700907
4-methyl-4-propylnonane
CID 54241684
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
6-(3-fluoropropyl)-6-methyldodecane
CID 137470516
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
4-methyl-4-octyldodecan-1-ol
CID 87375187
1-chloropentane;pentadecane
CID 174295582
1-chloropentadecane
CID 20996

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloropropyl)-7-methyltridecane?
The IUPAC name of 7-(3-chloropropyl)-7-methyltridecane (CID 135291324) is 7-(3-chloropropyl)-7-methyltridecane.
What is the SMILES notation for 7-(3-chloropropyl)-7-methyltridecane?
The canonical SMILES for 7-(3-chloropropyl)-7-methyltridecane is CCCCCCC(C)(CCCCl)CCCCCC.
What is the InChIKey of 7-(3-chloropropyl)-7-methyltridecane?
The InChIKey is NAKSWEPGIHCPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35Cl/c1-4-6-8-10-13-17(3,15-12-16-18)14-11-9-7-5-2/h4-16H2,1-3H3.
What are the key properties of 7-(3-chloropropyl)-7-methyltridecane?
7-(3-chloropropyl)-7-methyltridecane has a molecular weight of 274.92 g/mol, XLogP of 6.95, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloropropyl)-7-methyltridecane is sourced from PubChem (CID 135291324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).