bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane

C18H29P3 — CID 58698004

IUPACbis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane
SMILESC[P@@]1CCC[C@@H]1CP(C[C@H]1CCC[P@]1C)c1ccccc1
InChIInChI=1S/C18H29P3/c1-19-12-6-10-17(19)14-21(16-8-4-3-5-9-16)15-18-11-7-13-20(18)2/h3-5,8-9,17-18H,6-7,10-15H2,1-2H3/t17-,18-,19+,20+/m1/s1
InChIKeyBLQOUBPHNWVVHG-ZRNYENFQSA-N
MW338.35 g/mol
LogP5.34
Rot. Bonds5

About bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane

bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane (PubChem CID 58698004) has the molecular formula C18H29P3 and a molecular weight of 338.35 g/mol. Its IUPAC name is bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane.

Molecular Properties

Compound Namebis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane
PubChem CID58698004
Molecular FormulaC18H29P3
Molecular Weight338.35 g/mol
Exact Mass338.15
IUPAC Namebis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane
SMILESC[P@@]1CCC[C@@H]1CP(C[C@H]1CCC[P@]1C)c1ccccc1
InChIInChI=1S/C18H29P3/c1-19-12-6-10-17(19)14-21(16-8-4-3-5-9-16)15-18-11-7-13-20(18)2/h3-5,8-9,17-18H,6-7,10-15H2,1-2H3/t17-,18-,19+,20+/m1/s1
InChIKeyBLQOUBPHNWVVHG-ZRNYENFQSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2R)-1-methylphospholan-2-yl]ethyl-diphenylphosphane
CID 44609097
[(2S)-1-methylphospholan-2-yl]-diphenylphosphane
CID 91165507
diphenyl-[1-[(1S)-1-phenylphospholan-2-yl]propan-2-yl]phosphane
CID 91490577
(2R)-2-benzyl-1-[2-[(2R)-2-benzylphospholan-1-yl]ethyl]phospholane
CID 58886856
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane
CID 20511064
bis[(1S)-1-cyclopentylethyl]-phenylphosphane
CID 59045088
2-(1-phenylphospholan-2-yl)ethanol
CID 87485021
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
CID 173497582
CID 173497582
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266

Frequently Asked Questions

What is the IUPAC name of bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane?
The IUPAC name of bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane (CID 58698004) is bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane.
What is the SMILES notation for bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane?
The canonical SMILES for bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane is C[P@@]1CCC[C@@H]1CP(C[C@H]1CCC[P@]1C)c1ccccc1.
What is the InChIKey of bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane?
The InChIKey is BLQOUBPHNWVVHG-ZRNYENFQSA-N. The full InChI is InChI=1S/C18H29P3/c1-19-12-6-10-17(19)14-21(16-8-4-3-5-9-16)15-18-11-7-13-20(18)2/h3-5,8-9,17-18H,6-7,10-15H2,1-2H3/t17-,18-,19+,20+/m1/s1.
What are the key properties of bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane?
bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane has a molecular weight of 338.35 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane is sourced from PubChem (CID 58698004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).