2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine

C28H41O3P — CID 20523493

IUPAC2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2op(O)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C28H41O3P/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)31-32(29)30-23(19)21(15-17)27(7,8)9/h13-16,29H,1-12H3
InChIKeyUESGEYFCYSJZSZ-UHFFFAOYSA-N
MW456.61 g/mol
LogP9.24
Rot. Bonds

About 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine

2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 20523493) has the molecular formula C28H41O3P and a molecular weight of 456.61 g/mol. Its IUPAC name is 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID20523493
Molecular FormulaC28H41O3P
Molecular Weight456.61 g/mol
Exact Mass456.28
IUPAC Name2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2op(O)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C28H41O3P/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)31-32(29)30-23(19)21(15-17)27(7,8)9/h13-16,29H,1-12H3
InChIKeyUESGEYFCYSJZSZ-UHFFFAOYSA-N
XLogP9.24
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,8,10-Tetra-tert-butyl-6-(3-(3-methyl-4-hydroxy-5-tert-butylphenyl)propoxy)dibenzo(d,f)(1,3,2)dioxaphosphepin
CID 6850823
Dibenzo(d,f)(1,3,2)dioxaphosphepin, 6-chloro-
CID 612102
6,6'-((3,3',5,5'-Tetrakis(1,1-dimethylethyl)(1,1'-biphenyl)-2,2'-diyl)bis(oxy))bis(dibenzo(d,f)(1,3,2)dioxaphosphepin)
CID 10963933
13-Chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 4372074
(S,S)-Kelliphite
CID 11815482
Dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine, N,N-dibutyl-2,4,8,10-tetrakis(1,1-dimethylethyl)-
CID 20481433
(11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10148332
(R)-4-Phenoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10525496
4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 12990041
4-Isopropoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 22323386
13-(2-Methylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59827441
2,4,8,10-Tetra-tert-butyldibenzo(d,f)(1,3,2)dioxaphosphepin 6-oxide dimer
CID 57567715

Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine (CID 20523493) is 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine is CC(C)(C)c1cc(C(C)(C)C)c2op(O)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is UESGEYFCYSJZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41O3P/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)31-32(29)30-23(19)21(15-17)27(7,8)9/h13-16,29H,1-12H3.
What are the key properties of 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine?
2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 456.61 g/mol, XLogP of 9.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 20523493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).