3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

C14H15O2P — CID 137456680

IUPAC3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
SMILESCC(C)(C)P1Oc2cccc3cccc(c23)O1
InChIInChI=1S/C14H15O2P/c1-14(2,3)17-15-11-8-4-6-10-7-5-9-12(16-17)13(10)11/h4-9H,1-3H3
InChIKeySKUSTFMSSXZWTO-UHFFFAOYSA-N
MW246.25 g/mol
LogP4.72
Rot. Bonds

About 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (PubChem CID 137456680) has the molecular formula C14H15O2P and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.

Molecular Properties

Compound Name3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
PubChem CID137456680
Molecular FormulaC14H15O2P
Molecular Weight246.25 g/mol
Exact Mass246.08
IUPAC Name3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
SMILESCC(C)(C)P1Oc2cccc3cccc(c23)O1
InChIInChI=1S/C14H15O2P/c1-14(2,3)17-15-11-8-4-6-10-7-5-9-12(16-17)13(10)11/h4-9H,1-3H3
InChIKeySKUSTFMSSXZWTO-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-2,4-dioxa-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 147759134
3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 59106226
3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide
CID 101045356
3,3,3-tris(2,6-dimethylphenoxy)-2,4-dioxa-3lambda5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 14787685
pyrene;zirconium
CID 175873743
2,2-dimethylpropane;naphthalene
CID 91188461
pyrene;dihydrobromide
CID 172822251
3,16-dimethyl-6-(1,1,1-trifluoro-2-methylpropan-2-yl)-8-oxa-3-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 166054811
6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 59106222
2-oxa-3-telluratricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 86218461
3-methylsulfanyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-4-ol
CID 56613040
1,8-bis(3,3-dimethylbut-1-ynyl)naphthalene
CID 169050200

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The IUPAC name of 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (CID 137456680) is 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.
What is the SMILES notation for 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The canonical SMILES for 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is CC(C)(C)P1Oc2cccc3cccc(c23)O1.
What is the InChIKey of 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The InChIKey is SKUSTFMSSXZWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2P/c1-14(2,3)17-15-11-8-4-6-10-7-5-9-12(16-17)13(10)11/h4-9H,1-3H3.
What are the key properties of 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene has a molecular weight of 246.25 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is sourced from PubChem (CID 137456680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).