1-(3-chloropentan-2-yl)naphthalene

C15H17Cl — CID 79308301

IUPAC1-(3-chloropentan-2-yl)naphthalene
SMILESCCC(Cl)C(C)c1cccc2ccccc12
InChIInChI=1S/C15H17Cl/c1-3-15(16)11(2)13-10-6-8-12-7-4-5-9-14(12)13/h4-11,15H,3H2,1-2H3
InChIKeyWDSXDTZWFIYSJX-UHFFFAOYSA-N
MW232.75 g/mol
LogP4.96
Rot. Bonds3

About 1-(3-chloropentan-2-yl)naphthalene

1-(3-chloropentan-2-yl)naphthalene (PubChem CID 79308301) has the molecular formula C15H17Cl and a molecular weight of 232.75 g/mol. Its IUPAC name is 1-(3-chloropentan-2-yl)naphthalene.

Molecular Properties

Compound Name1-(3-chloropentan-2-yl)naphthalene
PubChem CID79308301
Molecular FormulaC15H17Cl
Molecular Weight232.75 g/mol
Exact Mass232.10
IUPAC Name1-(3-chloropentan-2-yl)naphthalene
SMILESCCC(Cl)C(C)c1cccc2ccccc12
InChIInChI=1S/C15H17Cl/c1-3-15(16)11(2)13-10-6-8-12-7-4-5-9-14(12)13/h4-11,15H,3H2,1-2H3
InChIKeyWDSXDTZWFIYSJX-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

1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
butane;1-propan-2-ylnaphthalene
CID 157253186
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
1-(1-chloro-2-cyclopropylpropyl)naphthalene
CID 83148466
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
CID 174906138
CID 174906138
1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 57075140
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropentan-2-yl)naphthalene?
The IUPAC name of 1-(3-chloropentan-2-yl)naphthalene (CID 79308301) is 1-(3-chloropentan-2-yl)naphthalene.
What is the SMILES notation for 1-(3-chloropentan-2-yl)naphthalene?
The canonical SMILES for 1-(3-chloropentan-2-yl)naphthalene is CCC(Cl)C(C)c1cccc2ccccc12.
What is the InChIKey of 1-(3-chloropentan-2-yl)naphthalene?
The InChIKey is WDSXDTZWFIYSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl/c1-3-15(16)11(2)13-10-6-8-12-7-4-5-9-14(12)13/h4-11,15H,3H2,1-2H3.
What are the key properties of 1-(3-chloropentan-2-yl)naphthalene?
1-(3-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 1-(3-chloropentan-2-yl)naphthalene is sourced from PubChem (CID 79308301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).