[(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane

C37H51O2P2- — CID 135085441

IUPAC[(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@@H](C)P(C2CCCCC2)C2CCCCC2)cc1C
InChIInChI=1S/C37H51O2P2/c1-25-21-32(22-26(2)36(25)38-6)41(33-23-27(3)37(39-7)28(4)24-33)35-20-14-19-34(35)29(5)40(30-15-10-8-11-16-30)31-17-12-9-13-18-31/h14,19-24,29-31H,8-13,15-18H2,1-7H3/q-1/t29-/m1/s1
InChIKeySXAUTFMKPORSHG-GDLZYMKVSA-N
MW589.76 g/mol
LogP9.62
Rot. Bonds9

About [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane

[(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane (PubChem CID 135085441) has the molecular formula C37H51O2P2- and a molecular weight of 589.76 g/mol. Its IUPAC name is [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane
PubChem CID135085441
Molecular FormulaC37H51O2P2-
Molecular Weight589.76 g/mol
Exact Mass589.34
IUPAC Name[(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@@H](C)P(C2CCCCC2)C2CCCCC2)cc1C
InChIInChI=1S/C37H51O2P2/c1-25-21-32(22-26(2)36(25)38-6)41(33-23-27(3)37(39-7)28(4)24-33)35-20-14-19-34(35)29(5)40(30-15-10-8-11-16-30)31-17-12-9-13-18-31/h14,19-24,29-31H,8-13,15-18H2,1-7H3/q-1/t29-/m1/s1
InChIKeySXAUTFMKPORSHG-GDLZYMKVSA-N
XLogP9.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.76
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl-dicyclohexylphosphane;cyclopenta-1,3-diene;iron(2+)
CID 158000939
cyclopentane;dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane;iron
CID 87113937
dicyclohexyl-[1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 134942525
cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron
CID 137321453
cyclopentane;dicyclohexyl-[5-(1-methoxyethyl)cyclopenta-1,3-dien-1-yl]phosphane;iron
CID 87987241
cyclopentane;ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane;iron
CID 87088713
[2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenoxy]phenyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 149137608
(1S)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenyl]-N,N-dimethylmethanamine
CID 58160434
cyclopentane;dicyclohexyl-[5-(1-phosphanylethyl)cyclopenta-1,3-dien-1-yl]phosphane;iron
CID 90214747
dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
CID 11250875
2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+)
CID 175711603
[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxophosphanium;carbanide;cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxophosphanium;dicyclohexyl(cyclopentyl)phosphane;(2-dicyclohexylphosphanylphenyl)-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxophosphanium;(2-diphenylphosphanylphenyl)-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxophosphanium;iron(2+)
CID 162297414

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane?
The IUPAC name of [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane (CID 135085441) is [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane.
What is the SMILES notation for [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane?
The canonical SMILES for [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@@H](C)P(C2CCCCC2)C2CCCCC2)cc1C.
What is the InChIKey of [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane?
The InChIKey is SXAUTFMKPORSHG-GDLZYMKVSA-N. The full InChI is InChI=1S/C37H51O2P2/c1-25-21-32(22-26(2)36(25)38-6)41(33-23-27(3)37(39-7)28(4)24-33)35-20-14-19-34(35)29(5)40(30-15-10-8-11-16-30)31-17-12-9-13-18-31/h14,19-24,29-31H,8-13,15-18H2,1-7H3/q-1/t29-/m1/s1.
What are the key properties of [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane?
[(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane has a molecular weight of 589.76 g/mol, XLogP of 9.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane is sourced from PubChem (CID 135085441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).