[1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane

C13H23BrS — CID 65001405

IUPAC[1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane
SMILESBrCC1(CSC2CCCCC2)CCCC1
InChIInChI=1S/C13H23BrS/c14-10-13(8-4-5-9-13)11-15-12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyYREMUVPNHUGFTA-UHFFFAOYSA-N
MW291.30 g/mol
LogP5.01
Rot. Bonds4

About [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane

[1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane (PubChem CID 65001405) has the molecular formula C13H23BrS and a molecular weight of 291.30 g/mol. Its IUPAC name is [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane.

Molecular Properties

Compound Name[1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane
PubChem CID65001405
Molecular FormulaC13H23BrS
Molecular Weight291.30 g/mol
Exact Mass290.07
IUPAC Name[1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane
SMILESBrCC1(CSC2CCCCC2)CCCC1
InChIInChI=1S/C13H23BrS/c14-10-13(8-4-5-9-13)11-15-12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyYREMUVPNHUGFTA-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.30
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(bromomethyl)cycloheptyl]methylsulfanyl]oxane
CID 65010558
4-(bromomethyl)-4-(cyclopentylsulfanylmethyl)oxane
CID 65004441
1-[[1-(bromomethyl)cyclopropyl]methylsulfanyl]-3-methylcyclohexane
CID 65014003
1-(bromomethyl)-1-(ethylsulfanylmethyl)cyclohexane
CID 65002459
1,1-bis(bromomethyl)cyclobutane
CID 12651155
1,1-bis(bromomethyl)cyclopentane
CID 12651156
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
2-(cyclopentylsulfanylmethyl)-2-methyloxirane
CID 66335387
1-(bromomethyl)-1-(butan-2-ylsulfanylmethyl)cycloheptane
CID 65010507
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
CID 65010270
1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane
CID 65006593
(4aR,8aR)-1-[[1-(bromomethyl)cyclohexyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727759

Frequently Asked Questions

What is the IUPAC name of [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane?
The IUPAC name of [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane (CID 65001405) is [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane.
What is the SMILES notation for [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane?
The canonical SMILES for [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane is BrCC1(CSC2CCCCC2)CCCC1.
What is the InChIKey of [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane?
The InChIKey is YREMUVPNHUGFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrS/c14-10-13(8-4-5-9-13)11-15-12-6-2-1-3-7-12/h12H,1-11H2.
What are the key properties of [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane?
[1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane has a molecular weight of 291.30 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane is sourced from PubChem (CID 65001405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).