1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene

C18H21Br — CID 107182431

IUPAC1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
SMILESCC1(C)CCCC1C(Br)c1cccc2ccccc12
InChIInChI=1S/C18H21Br/c1-18(2)12-6-11-16(18)17(19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16-17H,6,11-12H2,1-2H3
InChIKeyHNXJLZPYDSWSNK-UHFFFAOYSA-N
MW317.27 g/mol
LogP6.10
Rot. Bonds2

About 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene

1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene (PubChem CID 107182431) has the molecular formula C18H21Br and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
PubChem CID107182431
Molecular FormulaC18H21Br
Molecular Weight317.27 g/mol
Exact Mass316.08
IUPAC Name1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
SMILESCC1(C)CCCC1C(Br)c1cccc2ccccc12
InChIInChI=1S/C18H21Br/c1-18(2)12-6-11-16(18)17(19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16-17H,6,11-12H2,1-2H3
InChIKeyHNXJLZPYDSWSNK-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.27
LogP ≤ 56.10
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-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
CID 107182469
[1-(2,2-dimethylcyclopentyl)-2-naphthalen-1-ylethyl]hydrazine
CID 107193580
(4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine
CID 65391024
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
CID 107183620
1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene
CID 107182405
1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
CID 107183698
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene
CID 107182433
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
CID 107182393
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 107182324
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107182571

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene?
The IUPAC name of 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene (CID 107182431) is 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene.
What is the SMILES notation for 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene?
The canonical SMILES for 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene is CC1(C)CCCC1C(Br)c1cccc2ccccc12.
What is the InChIKey of 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene?
The InChIKey is HNXJLZPYDSWSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br/c1-18(2)12-6-11-16(18)17(19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16-17H,6,11-12H2,1-2H3.
What are the key properties of 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene?
1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene has a molecular weight of 317.27 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene is sourced from PubChem (CID 107182431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).