[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane

C41H52O2P2 — CID 76609630

IUPAC[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2C(C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C41H52O2P2/c1-25-15-26(2)18-34(17-25)44(35-19-27(3)16-28(4)20-35)33(9)38-13-12-14-39(38)45(36-21-29(5)40(42-10)30(6)22-36)37-23-31(7)41(43-11)32(8)24-37/h15-24,33,38-39H,12-14H2,1-11H3
InChIKeyGWUJDUKNOAFEOH-UHFFFAOYSA-N
MW638.81 g/mol
LogP9.29
Rot. Bonds9

About [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane

[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (PubChem CID 76609630) has the molecular formula C41H52O2P2 and a molecular weight of 638.81 g/mol. Its IUPAC name is [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
PubChem CID76609630
Molecular FormulaC41H52O2P2
Molecular Weight638.81 g/mol
Exact Mass638.34
IUPAC Name[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2C(C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C41H52O2P2/c1-25-15-26(2)18-34(17-25)44(35-19-27(3)16-28(4)20-35)33(9)38-13-12-14-39(38)45(36-21-29(5)40(42-10)30(6)22-36)37-23-31(7)41(43-11)32(8)24-37/h15-24,33,38-39H,12-14H2,1-11H3
InChIKeyGWUJDUKNOAFEOH-UHFFFAOYSA-N
XLogP9.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The IUPAC name of [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (CID 76609630) is [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The canonical SMILES for [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2C(C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C.
What is the InChIKey of [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The InChIKey is GWUJDUKNOAFEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52O2P2/c1-25-15-26(2)18-34(17-25)44(35-19-27(3)16-28(4)20-35)33(9)38-13-12-14-39(38)45(36-21-29(5)40(42-10)30(6)22-36)37-23-31(7)41(43-11)32(8)24-37/h15-24,33,38-39H,12-14H2,1-11H3.
What are the key properties of [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane has a molecular weight of 638.81 g/mol, XLogP of 9.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 76609630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).