(3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole

C24H25O2P — CID 13494364

IUPAC(3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole
SMILESc1ccc(P2(c3ccccc3)(c3ccccc3)O[C@H]3CCCC[C@H]3O2)cc1
InChIInChI=1S/C24H25O2P/c1-4-12-20(13-5-1)27(21-14-6-2-7-15-21,22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)26-27/h1-9,12-17,23-24H,10-11,18-19H2/t23-,24+
InChIKeyPHCRVFHQYFXFGG-PSWAGMNNSA-N
MW376.44 g/mol
LogP4.70
Rot. Bonds3

About (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole

(3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole (PubChem CID 13494364) has the molecular formula C24H25O2P and a molecular weight of 376.44 g/mol. Its IUPAC name is (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole.

Molecular Properties

Compound Name(3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole
PubChem CID13494364
Molecular FormulaC24H25O2P
Molecular Weight376.44 g/mol
Exact Mass376.16
IUPAC Name(3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole
SMILESc1ccc(P2(c3ccccc3)(c3ccccc3)O[C@H]3CCCC[C@H]3O2)cc1
InChIInChI=1S/C24H25O2P/c1-4-12-20(13-5-1)27(21-14-6-2-7-15-21,22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)26-27/h1-9,12-17,23-24H,10-11,18-19H2/t23-,24+
InChIKeyPHCRVFHQYFXFGG-PSWAGMNNSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole with MolForge

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Related Compounds

cyclopentyl-methyl-diphenylsilane
CID 123376620
(3aR,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborole
CID 124629415
(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
5-phenyl-5λ5-phosphaspiro[4.4]nonane
CID 23419870
2-phenyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]oxazole
CID 10584792
cyclopentyl-dimethyl-phenylsilane
CID 59962320
2,2,2-triphenyl-1,3,2λ5-dioxaphosphepane-4,7-dione
CID 133053627
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
(1S,8S)-10,10-diphenyl-9-oxabicyclo[6.2.0]decane
CID 101105707
(4aS,9aS)-2,3,4,4a,9,9a-hexahydro-1H-xanthene
CID 101459378
(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 134961607
7-oxabicyclo[4.1.0]heptane;2-(phenoxymethyl)oxirane
CID 158637466

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole?
The IUPAC name of (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole (CID 13494364) is (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole.
What is the SMILES notation for (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole?
The canonical SMILES for (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole is c1ccc(P2(c3ccccc3)(c3ccccc3)O[C@H]3CCCC[C@H]3O2)cc1.
What is the InChIKey of (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole?
The InChIKey is PHCRVFHQYFXFGG-PSWAGMNNSA-N. The full InChI is InChI=1S/C24H25O2P/c1-4-12-20(13-5-1)27(21-14-6-2-7-15-21,22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)26-27/h1-9,12-17,23-24H,10-11,18-19H2/t23-,24+.
What are the key properties of (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole?
(3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole has a molecular weight of 376.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole is sourced from PubChem (CID 13494364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).