CID 58239535

C7H13O2Y3- — CID 58239535

IUPAC—
SMILESCC1(C)O[CH-]OC1(C)C.[Y].[Y].[Y]
InChIInChI=1S/C7H13O2.3Y/c1-6(2)7(3,4)9-5-8-6;;;/h5H,1-4H3;;;/q-1;;;
InChIKeyPHMFWQKRIWCKEZ-UHFFFAOYSA-N
MW395.90 g/mol
LogP1.70
Rot. Bonds

About CID 58239535

CID 58239535 (PubChem CID 58239535) has the molecular formula C7H13O2Y3- and a molecular weight of 395.90 g/mol.

Molecular Properties

Compound NameCID 58239535
PubChem CID58239535
Molecular FormulaC7H13O2Y3-
Molecular Weight395.90 g/mol
Exact Mass395.81
IUPAC Name—
SMILESCC1(C)O[CH-]OC1(C)C.[Y].[Y].[Y]
InChIInChI=1S/C7H13O2.3Y/c1-6(2)7(3,4)9-5-8-6;;;/h5H,1-4H3;;;/q-1;;;
InChIKeyPHMFWQKRIWCKEZ-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
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1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol
CID 23417059
4,4,5,5-tetramethyl-1,2-oxazolidine
CID 58271292
4-ethyl-2,2,3,3-tetramethyloxetane
CID 58640685
2,2,3,3,5,6-hexamethyl-1,4-dioxine
CID 122631119
(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
CID 59124579
4,4-dimethyloxazetidine
CID 91439369
2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
CID 71403401
CID 143433984
CID 143433984

Frequently Asked Questions

What is the IUPAC name of CID 58239535?
The IUPAC name of CID 58239535 (CID 58239535) is not available.
What is the SMILES notation for CID 58239535?
The canonical SMILES for CID 58239535 is CC1(C)O[CH-]OC1(C)C.[Y].[Y].[Y].
What is the InChIKey of CID 58239535?
The InChIKey is PHMFWQKRIWCKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2.3Y/c1-6(2)7(3,4)9-5-8-6;;;/h5H,1-4H3;;;/q-1;;;.
What are the key properties of CID 58239535?
CID 58239535 has a molecular weight of 395.90 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58239535 is sourced from PubChem (CID 58239535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).