(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite

C10H11ClO4 — CID 89035828

IUPAC(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite
SMILESO=C1OC(=O)C2C3CC(CC3COCl)C12
InChIInChI=1S/C10H11ClO4/c11-14-3-5-1-4-2-6(5)8-7(4)9(12)15-10(8)13/h4-8H,1-3H2
InChIKeyYMWMHXOAFGJFOT-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.13
Rot. Bonds2

About (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite

(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite (PubChem CID 89035828) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite.

Molecular Properties

Compound Name(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite
PubChem CID89035828
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite
SMILESO=C1OC(=O)C2C3CC(CC3COCl)C12
InChIInChI=1S/C10H11ClO4/c11-14-3-5-1-4-2-6(5)8-7(4)9(12)15-10(8)13/h4-8H,1-3H2
InChIKeyYMWMHXOAFGJFOT-UHFFFAOYSA-N
XLogP1.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(8S,12R)-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone
CID 59360185
3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 87573784
8-[[[[[[[[[[(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58300657
(1S,11R)-6,14-dioxahexacyclo[9.5.1.13,9.02,10.04,8.012,16]octadecane-5,7,13,15-tetrone
CID 130369269
(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98048036
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98048070
(2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 59164690
N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide
CID 166663769
(1R,2S,6S,7R,8R,9S)-8,9-dibromo-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98064195
(1S,2R,3R,6S,7S,8R)-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-10,12-dione
CID 11287707
N-(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)-2,2-dimethylbutanamide
CID 129176738
(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl prop-2-enoate
CID 154536495

Frequently Asked Questions

What is the IUPAC name of (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite?
The IUPAC name of (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite (CID 89035828) is (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite.
What is the SMILES notation for (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite?
The canonical SMILES for (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite is O=C1OC(=O)C2C3CC(CC3COCl)C12.
What is the InChIKey of (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite?
The InChIKey is YMWMHXOAFGJFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c11-14-3-5-1-4-2-6(5)8-7(4)9(12)15-10(8)13/h4-8H,1-3H2.
What are the key properties of (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite?
(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite has a molecular weight of 230.65 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl hypochlorite is sourced from PubChem (CID 89035828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).