cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride

C9H11ClO3 — CID 131857466

IUPACcis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride
SMILESO=C1CCC[C@H]([C@H]2C[C@@H]2C(=O)Cl)O1
InChIInChI=1S/C9H11ClO3/c10-9(12)6-4-5(6)7-2-1-3-8(11)13-7/h5-7H,1-4H2/t5-,6-,7+/m0/s1
InChIKeyHUXNLWKXLWTSEM-LYFYHCNISA-N
MW202.64 g/mol
LogP1.48
Rot. Bonds2

About cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride

cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride (PubChem CID 131857466) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride
PubChem CID131857466
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Namecis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride
SMILESO=C1CCC[C@H]([C@H]2C[C@@H]2C(=O)Cl)O1
InChIInChI=1S/C9H11ClO3/c10-9(12)6-4-5(6)7-2-1-3-8(11)13-7/h5-7H,1-4H2/t5-,6-,7+/m0/s1
InChIKeyHUXNLWKXLWTSEM-LYFYHCNISA-N
XLogP1.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-[(1S,2S)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one
CID 11367649
(6S)-6-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one
CID 11030835
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 38988932
6-methyloxan-2-one
CID 160564586
trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride
CID 12501622
2-cyclohexyl-1,4-dioxecane-5,10-dione
CID 54163807
(7S)-7-hydroxyoxepan-2-one
CID 131065428
6-[(2E,4E)-5-chlorohexa-2,4-dien-2-yl]oxan-2-one
CID 134408114
(2,6-13C2)oxane-2,6-dione
CID 45039353
methanol;oxane-2,6-dione
CID 175106856
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
6-trimethylsilyloxan-2-one
CID 10559125

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride?
The IUPAC name of cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride (CID 131857466) is cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride.
What is the SMILES notation for cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride?
The canonical SMILES for cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride is O=C1CCC[C@H]([C@H]2C[C@@H]2C(=O)Cl)O1.
What is the InChIKey of cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride?
The InChIKey is HUXNLWKXLWTSEM-LYFYHCNISA-N. The full InChI is InChI=1S/C9H11ClO3/c10-9(12)6-4-5(6)7-2-1-3-8(11)13-7/h5-7H,1-4H2/t5-,6-,7+/m0/s1.
What are the key properties of cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride?
cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride has a molecular weight of 202.64 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 131857466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).