1,2-bis(chloromethyl)cyclopentane

C7H12Cl2 — CID 13129029

IUPAC1,2-bis(chloromethyl)cyclopentane
SMILESClCC1CCCC1CCl
InChIInChI=1S/C7H12Cl2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2
InChIKeyYYIOMTOOMISDNU-UHFFFAOYSA-N
MW167.08 g/mol
LogP2.88
Rot. Bonds2

About 1,2-bis(chloromethyl)cyclopentane

1,2-bis(chloromethyl)cyclopentane (PubChem CID 13129029) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is 1,2-bis(chloromethyl)cyclopentane.

Molecular Properties

Compound Name1,2-bis(chloromethyl)cyclopentane
PubChem CID13129029
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name1,2-bis(chloromethyl)cyclopentane
SMILESClCC1CCCC1CCl
InChIInChI=1S/C7H12Cl2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2
InChIKeyYYIOMTOOMISDNU-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 52.88
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

trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane
CID 71423224
trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane
CID 54577627
1-(chloromethyl)-2-methylcyclopentane
CID 13459403
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-ethylbutan-1-amine
CID 82924798
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 114306831
5-(chloromethyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173406818
(E)-3-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]prop-2-en-1-amine
CID 107901082
4-(chloromethyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
CID 140578549
trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane
CID 55302290
1,3-bis(chloromethyl)cyclohexane
CID 139917320
2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine
CID 106365175

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(chloromethyl)cyclopentane?
The IUPAC name of 1,2-bis(chloromethyl)cyclopentane (CID 13129029) is 1,2-bis(chloromethyl)cyclopentane.
What is the SMILES notation for 1,2-bis(chloromethyl)cyclopentane?
The canonical SMILES for 1,2-bis(chloromethyl)cyclopentane is ClCC1CCCC1CCl.
What is the InChIKey of 1,2-bis(chloromethyl)cyclopentane?
The InChIKey is YYIOMTOOMISDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2.
What are the key properties of 1,2-bis(chloromethyl)cyclopentane?
1,2-bis(chloromethyl)cyclopentane has a molecular weight of 167.08 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(chloromethyl)cyclopentane is sourced from PubChem (CID 13129029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).