cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane

C16H30Cl4O — CID 174797469

IUPACcyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane
SMILESC1CCC(COCC2CCCC2)C1.CC(Cl)Cl.ClCCCl
InChIInChI=1S/C12H22O.2C2H4Cl2/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-12;1-2(3)4;3-1-2-4/h11-12H,1-10H2;2H,1H3;1-2H2
InChIKeyBIRHPESWTJRPQC-UHFFFAOYSA-N
MW380.23 g/mol
LogP6.66
Rot. Bonds5

About cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane

cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane (PubChem CID 174797469) has the molecular formula C16H30Cl4O and a molecular weight of 380.23 g/mol. Its IUPAC name is cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane.

Molecular Properties

Compound Namecyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane
PubChem CID174797469
Molecular FormulaC16H30Cl4O
Molecular Weight380.23 g/mol
Exact Mass378.11
IUPAC Namecyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane
SMILESC1CCC(COCC2CCCC2)C1.CC(Cl)Cl.ClCCCl
InChIInChI=1S/C12H22O.2C2H4Cl2/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-12;1-2(3)4;3-1-2-4/h11-12H,1-10H2;2H,1H3;1-2H2
InChIKeyBIRHPESWTJRPQC-UHFFFAOYSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.23
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane?
The IUPAC name of cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane (CID 174797469) is cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane.
What is the SMILES notation for cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane?
The canonical SMILES for cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane is C1CCC(COCC2CCCC2)C1.CC(Cl)Cl.ClCCCl.
What is the InChIKey of cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane?
The InChIKey is BIRHPESWTJRPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.2C2H4Cl2/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-12;1-2(3)4;3-1-2-4/h11-12H,1-10H2;2H,1H3;1-2H2.
What are the key properties of cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane?
cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane has a molecular weight of 380.23 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane is sourced from PubChem (CID 174797469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).