1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane

C10H19ClO — CID 165446225

IUPAC1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane
SMILESCC(C)OCC1(CCl)CCCC1
InChIInChI=1S/C10H19ClO/c1-9(2)12-8-10(7-11)5-3-4-6-10/h9H,3-8H2,1-2H3
InChIKeySOIPTEXSFCBHLF-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.21
Rot. Bonds4

About 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane

1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane (PubChem CID 165446225) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane
PubChem CID165446225
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane
SMILESCC(C)OCC1(CCl)CCCC1
InChIInChI=1S/C10H19ClO/c1-9(2)12-8-10(7-11)5-3-4-6-10/h9H,3-8H2,1-2H3
InChIKeySOIPTEXSFCBHLF-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.21
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 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane?
The IUPAC name of 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane (CID 165446225) is 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane.
What is the SMILES notation for 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane?
The canonical SMILES for 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane is CC(C)OCC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane?
The InChIKey is SOIPTEXSFCBHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-9(2)12-8-10(7-11)5-3-4-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane?
1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane has a molecular weight of 190.71 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane is sourced from PubChem (CID 165446225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).