CID 20584617

C10H20BO2PS — CID 20584617

IUPAC—
SMILES[B]PSOCC1OC(C)C(C)(C)C1(C)C
InChIInChI=1S/C10H20BO2PS/c1-7-9(2,3)10(4,5)8(13-7)6-12-15-14-11/h7-8,14H,6H2,1-5H3
InChIKeyNAQCJSBDEYOVSF-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.17
Rot. Bonds4

About CID 20584617

CID 20584617 (PubChem CID 20584617) has the molecular formula C10H20BO2PS and a molecular weight of 246.12 g/mol.

Molecular Properties

Compound NameCID 20584617
PubChem CID20584617
Molecular FormulaC10H20BO2PS
Molecular Weight246.12 g/mol
Exact Mass246.10
IUPAC Name—
SMILES[B]PSOCC1OC(C)C(C)(C)C1(C)C
InChIInChI=1S/C10H20BO2PS/c1-7-9(2,3)10(4,5)8(13-7)6-12-15-14-11/h7-8,14H,6H2,1-5H3
InChIKeyNAQCJSBDEYOVSF-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 20584623
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3,3,4,4,5-pentamethyloxolane-2-carbaldehyde
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2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine
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3-methyl-3-[2-(2-methyl-3-sulfanyloxiran-2-yl)sulfanylethylsulfanyl]oxirane-2-thiol
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CID 146876701
(2R,4S,6S)-4-hexyl-2,5,5,6-tetramethyl-1,3-dioxane
CID 10609425
1,3-bis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]propan-2-ol
CID 102472736
ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035
CID 90136214
CID 90136214
2-[[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylcyclohexyl)cyclohexyl]oxymethyl]oxirane
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Frequently Asked Questions

What is the IUPAC name of CID 20584617?
The IUPAC name of CID 20584617 (CID 20584617) is not available.
What is the SMILES notation for CID 20584617?
The canonical SMILES for CID 20584617 is [B]PSOCC1OC(C)C(C)(C)C1(C)C.
What is the InChIKey of CID 20584617?
The InChIKey is NAQCJSBDEYOVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BO2PS/c1-7-9(2,3)10(4,5)8(13-7)6-12-15-14-11/h7-8,14H,6H2,1-5H3.
What are the key properties of CID 20584617?
CID 20584617 has a molecular weight of 246.12 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20584617 is sourced from PubChem (CID 20584617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).