trans-(1S,3S)-1-chloro-3-methylcyclopentane

C6H11Cl — CID 95369076

IUPACtrans-(1S,3S)-1-chloro-3-methylcyclopentane
SMILESC[C@H]1CC[C@H](Cl)C1
InChIInChI=1S/C6H11Cl/c1-5-2-3-6(7)4-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyXZTDXLYILUJOTB-WDSKDSINSA-N
MW118.61 g/mol
LogP2.41
Rot. Bonds

About trans-(1S,3S)-1-chloro-3-methylcyclopentane

trans-(1S,3S)-1-chloro-3-methylcyclopentane (PubChem CID 95369076) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is trans-(1S,3S)-1-chloro-3-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,3S)-1-chloro-3-methylcyclopentane
PubChem CID95369076
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Nametrans-(1S,3S)-1-chloro-3-methylcyclopentane
SMILESC[C@H]1CC[C@H](Cl)C1
InChIInChI=1S/C6H11Cl/c1-5-2-3-6(7)4-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyXZTDXLYILUJOTB-WDSKDSINSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-chloro-3-methylcyclopentane?
The IUPAC name of trans-(1S,3S)-1-chloro-3-methylcyclopentane (CID 95369076) is trans-(1S,3S)-1-chloro-3-methylcyclopentane.
What is the SMILES notation for trans-(1S,3S)-1-chloro-3-methylcyclopentane?
The canonical SMILES for trans-(1S,3S)-1-chloro-3-methylcyclopentane is C[C@H]1CC[C@H](Cl)C1.
What is the InChIKey of trans-(1S,3S)-1-chloro-3-methylcyclopentane?
The InChIKey is XZTDXLYILUJOTB-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11Cl/c1-5-2-3-6(7)4-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-1-chloro-3-methylcyclopentane?
trans-(1S,3S)-1-chloro-3-methylcyclopentane has a molecular weight of 118.61 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-chloro-3-methylcyclopentane is sourced from PubChem (CID 95369076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).