2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane

C13H20BO2- — CID 10751693

IUPAC2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane
SMILESC[B-]1(c2ccccc2)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H20BO2/c1-12(2)13(3,4)16-14(5,15-12)11-9-7-6-8-10-11/h6-10H,1-5H3/q-1
InChIKeyFPZOSSPTRNOMNC-UHFFFAOYSA-N
MW219.11 g/mol
LogP2.57
Rot. Bonds1

About 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane

2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane (PubChem CID 10751693) has the molecular formula C13H20BO2- and a molecular weight of 219.11 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane.

Molecular Properties

Compound Name2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane
PubChem CID10751693
Molecular FormulaC13H20BO2-
Molecular Weight219.11 g/mol
Exact Mass219.16
IUPAC Name2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane
SMILESC[B-]1(c2ccccc2)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H20BO2/c1-12(2)13(3,4)16-14(5,15-12)11-9-7-6-8-10-11/h6-10H,1-5H3/q-1
InChIKeyFPZOSSPTRNOMNC-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-4,4,5,5-tetramethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane
CID 122363453
2,2,3,3,10,10,11,11-octamethyl-6,7,13,14-tetraphenyl-1,4,9,12-tetraoxa-5,8-diboranuidadispiro[4.2.48.25]tetradeca-6,13-diene
CID 171341430
lithium 2-methyl-2-phenyl-1,3-dioxa-2-boranuidacyclohexane
CID 23706475
2-(bromomethyl)-4,4,5,5-tetramethyl-2-trityloxy-1,3-dioxa-2-boranuidacyclopentane
CID 135048698
(7S,9Z)-9-benzylidene-2,2,3,3-tetramethyl-7-phenyl-1,4-dioxa-6-azonia-5-boranuidaspiro[4.4]nonane
CID 139118172
8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 20654780
(1'R,2'R)-4,4,5,5-tetramethyl-4',12'-diphenylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7,9-diaza-8-boranuidatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene]
CID 164686753
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
CID 11196194
2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane
CID 12901866
fluoromethane;methanidylbenzene;yttrium
CID 160646799
4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane
CID 102508609

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane?
The IUPAC name of 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane (CID 10751693) is 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane.
What is the SMILES notation for 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane?
The canonical SMILES for 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane is C[B-]1(c2ccccc2)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane?
The InChIKey is FPZOSSPTRNOMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BO2/c1-12(2)13(3,4)16-14(5,15-12)11-9-7-6-8-10-11/h6-10H,1-5H3/q-1.
What are the key properties of 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane?
2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane has a molecular weight of 219.11 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane is sourced from PubChem (CID 10751693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).