1-chloronaphthalene;pentane

C15H19Cl — CID 19360859

IUPAC1-chloronaphthalene;pentane
SMILESCCCCC.Clc1cccc2ccccc12
InChIInChI=1S/C10H7Cl.C5H12/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-5-4-2/h1-7H;3-5H2,1-2H3
InChIKeyIGAKUOAAGNJNDR-UHFFFAOYSA-N
MW234.77 g/mol
LogP5.69
Rot. Bonds2

About 1-chloronaphthalene;pentane

1-chloronaphthalene;pentane (PubChem CID 19360859) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is 1-chloronaphthalene;pentane.

Molecular Properties

Compound Name1-chloronaphthalene;pentane
PubChem CID19360859
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name1-chloronaphthalene;pentane
SMILESCCCCC.Clc1cccc2ccccc12
InChIInChI=1S/C10H7Cl.C5H12/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-5-4-2/h1-7H;3-5H2,1-2H3
InChIKeyIGAKUOAAGNJNDR-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.77
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloronaphthalene;pentane?
The IUPAC name of 1-chloronaphthalene;pentane (CID 19360859) is 1-chloronaphthalene;pentane.
What is the SMILES notation for 1-chloronaphthalene;pentane?
The canonical SMILES for 1-chloronaphthalene;pentane is CCCCC.Clc1cccc2ccccc12.
What is the InChIKey of 1-chloronaphthalene;pentane?
The InChIKey is IGAKUOAAGNJNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl.C5H12/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-5-4-2/h1-7H;3-5H2,1-2H3.
What are the key properties of 1-chloronaphthalene;pentane?
1-chloronaphthalene;pentane has a molecular weight of 234.77 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloronaphthalene;pentane is sourced from PubChem (CID 19360859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).