6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene

C15H21Cl — CID 82083794

IUPAC6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C(CCl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21Cl/c1-11(2)15(10-16)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyPYJBJRXEEYZHSH-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.54
Rot. Bonds3

About 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene

6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 82083794) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID82083794
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C(CCl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21Cl/c1-11(2)15(10-16)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyPYJBJRXEEYZHSH-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.54
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

ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
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3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 110408400
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
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CID 62727577
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal
CID 82040234
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 82083794) is 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene is CC(C)C(CCl)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PYJBJRXEEYZHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-11(2)15(10-16)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,11,15H,3-6,10H2,1-2H3.
What are the key properties of 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene?
6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 236.79 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 82083794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).