ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane

C24H36O2P2 — CID 142063841

IUPACethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILESCC.CCPC(C)[C@H]1OC(C)(C)OC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2P2.C2H6/c1-5-25-17(2)21-20(23-22(3,4)24-21)16-26(18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2/h6-15,17,20-21,25H,5,16H2,1-4H3;1-2H3/t17?,20?,21-;/m1./s1
InChIKeyLNXHNXKENZFHOV-VSBQDGLYSA-N
MW418.50 g/mol
LogP5.75
Rot. Bonds7

About ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane

ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (PubChem CID 142063841) has the molecular formula C24H36O2P2 and a molecular weight of 418.50 g/mol. Its IUPAC name is ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Nameethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
PubChem CID142063841
Molecular FormulaC24H36O2P2
Molecular Weight418.50 g/mol
Exact Mass418.22
IUPAC Nameethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILESCC.CCPC(C)[C@H]1OC(C)(C)OC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2P2.C2H6/c1-5-25-17(2)21-20(23-22(3,4)24-21)16-26(18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2/h6-15,17,20-21,25H,5,16H2,1-4H3;1-2H3/t17?,20?,21-;/m1./s1
InChIKeyLNXHNXKENZFHOV-VSBQDGLYSA-N
XLogP5.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane with MolForge

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Related Compounds

CID 11593030
CID 11593030
CID 134932181
CID 134932181
[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 10507797
CID 53492479
CID 53492479
[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane
CID 118920803
[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 18519085
[(2R,3R)-3-(diphenylphosphanylmethyl)-1,4-dioxaspiro[4.6]undecan-2-yl]methyl-diphenylphosphane
CID 170897994
N-[[(4S,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methoxy-N-methylaniline
CID 15443434
(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dichlororuthenium;[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
CID 121234192
[(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol
CID 11103808
[(4R,5R)-5-[(diphenyl-λ3-iodanyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenyl-λ3-iodane
CID 154560381
(4R,5R)-5-[(1S)-1-azido-2-phenylethyl]-4-[(1R)-1-azido-2-phenylethyl]-2,2-dimethyl-1,3-dioxolane
CID 10763096

Frequently Asked Questions

What is the IUPAC name of ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The IUPAC name of ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (CID 142063841) is ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.
What is the SMILES notation for ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The canonical SMILES for ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is CC.CCPC(C)[C@H]1OC(C)(C)OC1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The InChIKey is LNXHNXKENZFHOV-VSBQDGLYSA-N. The full InChI is InChI=1S/C22H30O2P2.C2H6/c1-5-25-17(2)21-20(23-22(3,4)24-21)16-26(18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2/h6-15,17,20-21,25H,5,16H2,1-4H3;1-2H3/t17?,20?,21-;/m1./s1.
What are the key properties of ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane has a molecular weight of 418.50 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(5S)-5-(1-ethylphosphanylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is sourced from PubChem (CID 142063841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).