(2S)-2-chloro-1,2-dicyclopropylethanone

C8H11ClO — CID 93494101

IUPAC(2S)-2-chloro-1,2-dicyclopropylethanone
SMILESO=C(C1CC1)[C@@H](Cl)C1CC1
InChIInChI=1S/C8H11ClO/c9-7(5-1-2-5)8(10)6-3-4-6/h5-7H,1-4H2/t7-/m0/s1
InChIKeyBXNBBHNTCOTZHJ-ZETCQYMHSA-N
MW158.63 g/mol
LogP1.98
Rot. Bonds3

About (2S)-2-chloro-1,2-dicyclopropylethanone

(2S)-2-chloro-1,2-dicyclopropylethanone (PubChem CID 93494101) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is (2S)-2-chloro-1,2-dicyclopropylethanone.

Molecular Properties

Compound Name(2S)-2-chloro-1,2-dicyclopropylethanone
PubChem CID93494101
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name(2S)-2-chloro-1,2-dicyclopropylethanone
SMILESO=C(C1CC1)[C@@H](Cl)C1CC1
InChIInChI=1S/C8H11ClO/c9-7(5-1-2-5)8(10)6-3-4-6/h5-7H,1-4H2/t7-/m0/s1
InChIKeyBXNBBHNTCOTZHJ-ZETCQYMHSA-N
XLogP1.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-1,2-dicyclopropylethanone?
The IUPAC name of (2S)-2-chloro-1,2-dicyclopropylethanone (CID 93494101) is (2S)-2-chloro-1,2-dicyclopropylethanone.
What is the SMILES notation for (2S)-2-chloro-1,2-dicyclopropylethanone?
The canonical SMILES for (2S)-2-chloro-1,2-dicyclopropylethanone is O=C(C1CC1)[C@@H](Cl)C1CC1.
What is the InChIKey of (2S)-2-chloro-1,2-dicyclopropylethanone?
The InChIKey is BXNBBHNTCOTZHJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11ClO/c9-7(5-1-2-5)8(10)6-3-4-6/h5-7H,1-4H2/t7-/m0/s1.
What are the key properties of (2S)-2-chloro-1,2-dicyclopropylethanone?
(2S)-2-chloro-1,2-dicyclopropylethanone has a molecular weight of 158.63 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-1,2-dicyclopropylethanone is sourced from PubChem (CID 93494101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).