(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane

C30H30O2P2 — CID 20511064

IUPAC(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane
SMILESc1ccc(P(OC2CCCC(OP(c3ccccc3)c3ccccc3)C2)c2ccccc2)cc1
InChIInChI=1S/C30H30O2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)31-25-14-13-15-26(24-25)32-34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-12,16-23,25-26H,13-15,24H2
InChIKeyIDHPAPRQSUMNIF-UHFFFAOYSA-N
MW484.52 g/mol
LogP6.43
Rot. Bonds8

About (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane

(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane (PubChem CID 20511064) has the molecular formula C30H30O2P2 and a molecular weight of 484.52 g/mol. Its IUPAC name is (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane.

Molecular Properties

Compound Name(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane
PubChem CID20511064
Molecular FormulaC30H30O2P2
Molecular Weight484.52 g/mol
Exact Mass484.17
IUPAC Name(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane
SMILESc1ccc(P(OC2CCCC(OP(c3ccccc3)c3ccccc3)C2)c2ccccc2)cc1
InChIInChI=1S/C30H30O2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)31-25-14-13-15-26(24-25)32-34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-12,16-23,25-26H,13-15,24H2
InChIKeyIDHPAPRQSUMNIF-UHFFFAOYSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 56.43
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

[(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane
CID 10909079
[(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane
CID 102574776
di(cyclobutyloxy)-(2-phenylethyl)phosphane
CID 141159211
[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane
CID 11488268
[(1S,2S)-2-tert-butylsulfanylcyclohexyl]oxy-diphenylphosphane
CID 16688539
1,2-dicyclohexyloxybenzene
CID 67331328
3-phenoxycyclohexan-1-ol
CID 79617811
bis[(1S)-1-cyclopentylethyl]-phenylphosphane
CID 59045088
cyclobutyloxy-(1-ethylcyclobutyl)oxy-phenylphosphane
CID 150509084
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232

Frequently Asked Questions

What is the IUPAC name of (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane?
The IUPAC name of (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane (CID 20511064) is (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane.
What is the SMILES notation for (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane?
The canonical SMILES for (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane is c1ccc(P(OC2CCCC(OP(c3ccccc3)c3ccccc3)C2)c2ccccc2)cc1.
What is the InChIKey of (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane?
The InChIKey is IDHPAPRQSUMNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)31-25-14-13-15-26(24-25)32-34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-12,16-23,25-26H,13-15,24H2.
What are the key properties of (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane?
(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane has a molecular weight of 484.52 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane is sourced from PubChem (CID 20511064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).