1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane

C13H23Br — CID 130596699

IUPAC1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane
SMILESCC1CCC(CC2CCC(Br)C2)CC1
InChIInChI=1S/C13H23Br/c1-10-2-4-11(5-3-10)8-12-6-7-13(14)9-12/h10-13H,2-9H2,1H3
InChIKeyNYTFECUVUCQLIS-UHFFFAOYSA-N
MW259.23 g/mol
LogP4.77
Rot. Bonds2

About 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane

1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane (PubChem CID 130596699) has the molecular formula C13H23Br and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane
PubChem CID130596699
Molecular FormulaC13H23Br
Molecular Weight259.23 g/mol
Exact Mass258.10
IUPAC Name1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane
SMILESCC1CCC(CC2CCC(Br)C2)CC1
InChIInChI=1S/C13H23Br/c1-10-2-4-11(5-3-10)8-12-6-7-13(14)9-12/h10-13H,2-9H2,1H3
InChIKeyNYTFECUVUCQLIS-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 54.77
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-(Bromomethyl)-4-ethylcyclohexane
CID 15217371
1-(Bromomethyl)-4-(propan-2-yl)cyclohexane
CID 66469852
(1-Bromo-2-methylpropyl)cyclohexane
CID 79299528
1-(Bromomethyl)-4-propyl-trans-cyclohexane
CID 11557597
1-(2-Bromoethyl)-4-methylcyclohexane
CID 227402
1-Bromoheptylcyclohexane
CID 134941395
1-(Bromomethyl)-4-pentylcyclohexane
CID 3619024
1-Bromo-4-pentylcyclohexane
CID 13685519
1-(2-Bromoethyl)-4-butylcyclohexane
CID 14069918
1-(Bromomethyl)-4-heptylcyclohexane
CID 14204872
1-(3-Bromopropyl)-4-butylcyclohexane
CID 15041610
trans-1-(Bromoethyl)-4-pentylcyclohexane
CID 15114353

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane?
The IUPAC name of 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane (CID 130596699) is 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane?
The canonical SMILES for 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane is CC1CCC(CC2CCC(Br)C2)CC1.
What is the InChIKey of 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane?
The InChIKey is NYTFECUVUCQLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Br/c1-10-2-4-11(5-3-10)8-12-6-7-13(14)9-12/h10-13H,2-9H2,1H3.
What are the key properties of 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane?
1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane has a molecular weight of 259.23 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromocyclopentyl)methyl]-4-methylcyclohexane is sourced from PubChem (CID 130596699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).