2-chloro-1-spiro[2.5]octan-6-ylethanone

C10H15ClO — CID 146049026

IUPAC2-chloro-1-spiro[2.5]octan-6-ylethanone
SMILESO=C(CCl)C1CCC2(CC1)CC2
InChIInChI=1S/C10H15ClO/c11-7-9(12)8-1-3-10(4-2-8)5-6-10/h8H,1-7H2
InChIKeyBAZIQWKBSRCUNX-UHFFFAOYSA-N
MW186.68 g/mol
LogP2.76
Rot. Bonds2

About 2-chloro-1-spiro[2.5]octan-6-ylethanone

2-chloro-1-spiro[2.5]octan-6-ylethanone (PubChem CID 146049026) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is 2-chloro-1-spiro[2.5]octan-6-ylethanone.

Molecular Properties

Compound Name2-chloro-1-spiro[2.5]octan-6-ylethanone
PubChem CID146049026
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name2-chloro-1-spiro[2.5]octan-6-ylethanone
SMILESO=C(CCl)C1CCC2(CC1)CC2
InChIInChI=1S/C10H15ClO/c11-7-9(12)8-1-3-10(4-2-8)5-6-10/h8H,1-7H2
InChIKeyBAZIQWKBSRCUNX-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 52.76
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 2-chloro-1-spiro[2.5]octan-6-ylethanone?
The IUPAC name of 2-chloro-1-spiro[2.5]octan-6-ylethanone (CID 146049026) is 2-chloro-1-spiro[2.5]octan-6-ylethanone.
What is the SMILES notation for 2-chloro-1-spiro[2.5]octan-6-ylethanone?
The canonical SMILES for 2-chloro-1-spiro[2.5]octan-6-ylethanone is O=C(CCl)C1CCC2(CC1)CC2.
What is the InChIKey of 2-chloro-1-spiro[2.5]octan-6-ylethanone?
The InChIKey is BAZIQWKBSRCUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO/c11-7-9(12)8-1-3-10(4-2-8)5-6-10/h8H,1-7H2.
What are the key properties of 2-chloro-1-spiro[2.5]octan-6-ylethanone?
2-chloro-1-spiro[2.5]octan-6-ylethanone has a molecular weight of 186.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-spiro[2.5]octan-6-ylethanone is sourced from PubChem (CID 146049026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).