2-(4-chloropentan-2-yl)naphthalene

C15H17Cl — CID 64719465

IUPAC2-(4-chloropentan-2-yl)naphthalene
SMILESCC(Cl)CC(C)c1ccc2ccccc2c1
InChIInChI=1S/C15H17Cl/c1-11(9-12(2)16)14-8-7-13-5-3-4-6-15(13)10-14/h3-8,10-12H,9H2,1-2H3
InChIKeyNQTWOSDDLXFNHL-UHFFFAOYSA-N
MW232.75 g/mol
LogP4.96
Rot. Bonds3

About 2-(4-chloropentan-2-yl)naphthalene

2-(4-chloropentan-2-yl)naphthalene (PubChem CID 64719465) has the molecular formula C15H17Cl and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-(4-chloropentan-2-yl)naphthalene.

Molecular Properties

Compound Name2-(4-chloropentan-2-yl)naphthalene
PubChem CID64719465
Molecular FormulaC15H17Cl
Molecular Weight232.75 g/mol
Exact Mass232.10
IUPAC Name2-(4-chloropentan-2-yl)naphthalene
SMILESCC(Cl)CC(C)c1ccc2ccccc2c1
InChIInChI=1S/C15H17Cl/c1-11(9-12(2)16)14-8-7-13-5-3-4-6-15(13)10-14/h3-8,10-12H,9H2,1-2H3
InChIKeyNQTWOSDDLXFNHL-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxypentan-2-yl)naphthalene
CID 129253076
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
ethane;2-propan-2-ylnaphthalene
CID 142226111
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
1-(3-naphthalen-2-ylbutyl)naphthalene
CID 173247348
2-propan-2-ylpentacene
CID 153380535
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-2-amine
CID 43371937
2-(1-nitropropan-2-yl)naphthalene
CID 67238437
1-naphthalen-2-ylethanamine
CID 3857145
1-naphthalen-2-ylethanethiol
CID 11672816
1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
CID 116962174

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropentan-2-yl)naphthalene?
The IUPAC name of 2-(4-chloropentan-2-yl)naphthalene (CID 64719465) is 2-(4-chloropentan-2-yl)naphthalene.
What is the SMILES notation for 2-(4-chloropentan-2-yl)naphthalene?
The canonical SMILES for 2-(4-chloropentan-2-yl)naphthalene is CC(Cl)CC(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-chloropentan-2-yl)naphthalene?
The InChIKey is NQTWOSDDLXFNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl/c1-11(9-12(2)16)14-8-7-13-5-3-4-6-15(13)10-14/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 2-(4-chloropentan-2-yl)naphthalene?
2-(4-chloropentan-2-yl)naphthalene has a molecular weight of 232.75 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropentan-2-yl)naphthalene is sourced from PubChem (CID 64719465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).