2,2-bis(chloromethyl)pentylcyclopentane

C12H22Cl2 — CID 79447124

IUPAC2,2-bis(chloromethyl)pentylcyclopentane
SMILESCCCC(CCl)(CCl)CC1CCCC1
InChIInChI=1S/C12H22Cl2/c1-2-7-12(9-13,10-14)8-11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyIBGYUNNSPDTDIP-UHFFFAOYSA-N
MW237.21 g/mol
LogP4.83
Rot. Bonds6

About 2,2-bis(chloromethyl)pentylcyclopentane

2,2-bis(chloromethyl)pentylcyclopentane (PubChem CID 79447124) has the molecular formula C12H22Cl2 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2,2-bis(chloromethyl)pentylcyclopentane.

Molecular Properties

Compound Name2,2-bis(chloromethyl)pentylcyclopentane
PubChem CID79447124
Molecular FormulaC12H22Cl2
Molecular Weight237.21 g/mol
Exact Mass236.11
IUPAC Name2,2-bis(chloromethyl)pentylcyclopentane
SMILESCCCC(CCl)(CCl)CC1CCCC1
InChIInChI=1S/C12H22Cl2/c1-2-7-12(9-13,10-14)8-11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyIBGYUNNSPDTDIP-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 54.83
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 2,2-bis(chloromethyl)pentylcyclopentane?
The IUPAC name of 2,2-bis(chloromethyl)pentylcyclopentane (CID 79447124) is 2,2-bis(chloromethyl)pentylcyclopentane.
What is the SMILES notation for 2,2-bis(chloromethyl)pentylcyclopentane?
The canonical SMILES for 2,2-bis(chloromethyl)pentylcyclopentane is CCCC(CCl)(CCl)CC1CCCC1.
What is the InChIKey of 2,2-bis(chloromethyl)pentylcyclopentane?
The InChIKey is IBGYUNNSPDTDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2/c1-2-7-12(9-13,10-14)8-11-5-3-4-6-11/h11H,2-10H2,1H3.
What are the key properties of 2,2-bis(chloromethyl)pentylcyclopentane?
2,2-bis(chloromethyl)pentylcyclopentane has a molecular weight of 237.21 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(chloromethyl)pentylcyclopentane is sourced from PubChem (CID 79447124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).