2-chloro-2-methylspiro[2.2]pentane

C6H9Cl — CID 14316137

IUPAC2-chloro-2-methylspiro[2.2]pentane
SMILESCC1(Cl)CC12CC2
InChIInChI=1S/C6H9Cl/c1-5(7)4-6(5)2-3-6/h2-4H2,1H3
InChIKeyMOWQHXSXKMBQLP-UHFFFAOYSA-N
MW116.59 g/mol
LogP2.17
Rot. Bonds

About 2-chloro-2-methylspiro[2.2]pentane

2-chloro-2-methylspiro[2.2]pentane (PubChem CID 14316137) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 2-chloro-2-methylspiro[2.2]pentane.

Molecular Properties

Compound Name2-chloro-2-methylspiro[2.2]pentane
PubChem CID14316137
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name2-chloro-2-methylspiro[2.2]pentane
SMILESCC1(Cl)CC12CC2
InChIInChI=1S/C6H9Cl/c1-5(7)4-6(5)2-3-6/h2-4H2,1H3
InChIKeyMOWQHXSXKMBQLP-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.17
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-chloro-2-methylspiro[2.2]pentane?
The IUPAC name of 2-chloro-2-methylspiro[2.2]pentane (CID 14316137) is 2-chloro-2-methylspiro[2.2]pentane.
What is the SMILES notation for 2-chloro-2-methylspiro[2.2]pentane?
The canonical SMILES for 2-chloro-2-methylspiro[2.2]pentane is CC1(Cl)CC12CC2.
What is the InChIKey of 2-chloro-2-methylspiro[2.2]pentane?
The InChIKey is MOWQHXSXKMBQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl/c1-5(7)4-6(5)2-3-6/h2-4H2,1H3.
What are the key properties of 2-chloro-2-methylspiro[2.2]pentane?
2-chloro-2-methylspiro[2.2]pentane has a molecular weight of 116.59 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methylspiro[2.2]pentane is sourced from PubChem (CID 14316137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).