1-chlorononadecane

C19H39Cl — CID 545634

IUPAC1-chlorononadecane
SMILESCCCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C19H39Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3
InChIKeyZPHKHTAJPZOPHM-UHFFFAOYSA-N
MW302.97 g/mol
LogP7.88
Rot. Bonds17

About 1-chlorononadecane

1-chlorononadecane (PubChem CID 545634) has the molecular formula C19H39Cl and a molecular weight of 302.97 g/mol. Its IUPAC name is 1-chlorononadecane.

Molecular Properties

Compound Name1-chlorononadecane
PubChem CID545634
Molecular FormulaC19H39Cl
Molecular Weight302.97 g/mol
Exact Mass302.27
IUPAC Name1-chlorononadecane
SMILESCCCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C19H39Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3
InChIKeyZPHKHTAJPZOPHM-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.97
LogP ≤ 57.88
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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Frequently Asked Questions

What is the IUPAC name of 1-chlorononadecane?
The IUPAC name of 1-chlorononadecane (CID 545634) is 1-chlorononadecane.
What is the SMILES notation for 1-chlorononadecane?
The canonical SMILES for 1-chlorononadecane is CCCCCCCCCCCCCCCCCCCCl.
What is the InChIKey of 1-chlorononadecane?
The InChIKey is ZPHKHTAJPZOPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3.
What are the key properties of 1-chlorononadecane?
1-chlorononadecane has a molecular weight of 302.97 g/mol, XLogP of 7.88, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorononadecane is sourced from PubChem (CID 545634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).