[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane

C35H38O2P2 — CID 170897994

IUPAC[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane
SMILESc1ccc(P(C[C@@H]2OC3(CCCCCC3)O[C@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H38O2P2/c1-2-16-26-35(25-15-1)36-33(27-38(29-17-7-3-8-18-29)30-19-9-4-10-20-30)34(37-35)28-39(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-14,17-24,33-34H,1-2,15-16,25-28H2/t33-,34-/m0/s1
InChIKeyRGOAOEOEOYNTCV-HEVIKAOCSA-N
MW552.64 g/mol
LogP7.09
Rot. Bonds8

About [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane

[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane (PubChem CID 170897994) has the molecular formula C35H38O2P2 and a molecular weight of 552.64 g/mol. Its IUPAC name is [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane
PubChem CID170897994
Molecular FormulaC35H38O2P2
Molecular Weight552.64 g/mol
Exact Mass552.23
IUPAC Name[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane
SMILESc1ccc(P(C[C@@H]2OC3(CCCCCC3)O[C@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H38O2P2/c1-2-16-26-35(25-15-1)36-33(27-38(29-17-7-3-8-18-29)30-19-9-4-10-20-30)34(37-35)28-39(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-14,17-24,33-34H,1-2,15-16,25-28H2/t33-,34-/m0/s1
InChIKeyRGOAOEOEOYNTCV-HEVIKAOCSA-N
XLogP7.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 57.09
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

[(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol
CID 11103808
[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 18519085
CID 11593030
CID 11593030
CID 53492479
CID 53492479
[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 10507797
CID 134932181
CID 134932181
[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol
CID 123409924
2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane
CID 123915019
2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol
CID 123822075
[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane
CID 118920803
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
(2S,3S,4R)-2-(diphenylphosphanylmethyl)oxane-3,4-diol
CID 101017151

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane?
The IUPAC name of [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane (CID 170897994) is [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane is c1ccc(P(C[C@@H]2OC3(CCCCCC3)O[C@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane?
The InChIKey is RGOAOEOEOYNTCV-HEVIKAOCSA-N. The full InChI is InChI=1S/C35H38O2P2/c1-2-16-26-35(25-15-1)36-33(27-38(29-17-7-3-8-18-29)30-19-9-4-10-20-30)34(37-35)28-39(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-14,17-24,33-34H,1-2,15-16,25-28H2/t33-,34-/m0/s1.
What are the key properties of [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane?
[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane has a molecular weight of 552.64 g/mol, XLogP of 7.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 170897994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).