[(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane

C27H39O2P — CID 144514442

IUPAC[(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCCCC[C@@H]1CCCC1P(c1cc(C)c(OC)c(C)c1)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C27H39O2P/c1-8-9-11-22-12-10-13-25(22)30(23-14-18(2)26(28-6)19(3)15-23)24-16-20(4)27(29-7)21(5)17-24/h14-17,22,25H,8-13H2,1-7H3/t22-,25?/m1/s1
InChIKeyPGUACBODJCRFAN-UFUCKMQHSA-N
MW426.58 g/mol
LogP6.73
Rot. Bonds8

About [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane

[(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (PubChem CID 144514442) has the molecular formula C27H39O2P and a molecular weight of 426.58 g/mol. Its IUPAC name is [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
PubChem CID144514442
Molecular FormulaC27H39O2P
Molecular Weight426.58 g/mol
Exact Mass426.27
IUPAC Name[(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCCCC[C@@H]1CCCC1P(c1cc(C)c(OC)c(C)c1)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C27H39O2P/c1-8-9-11-22-12-10-13-25(22)30(23-14-18(2)26(28-6)19(3)15-23)24-16-20(4)27(29-7)21(5)17-24/h14-17,22,25H,8-13H2,1-7H3/t22-,25?/m1/s1
InChIKeyPGUACBODJCRFAN-UFUCKMQHSA-N
XLogP6.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.58
LogP ≤ 56.73
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

[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane
CID 58900679
[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 76609630
bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane
CID 144514405
ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 143834388
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
(1S)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenyl]-N,N-dimethylmethanamine
CID 58160434
1-butyl-2-ethylcyclopentane
CID 522474
(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(4-methoxy-3-methylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine
CID 118909028
cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron
CID 137321453
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210173
1-heptyl-2-pentylcyclopentane
CID 102061725

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The IUPAC name of [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (CID 144514442) is [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The canonical SMILES for [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is CCCC[C@@H]1CCCC1P(c1cc(C)c(OC)c(C)c1)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The InChIKey is PGUACBODJCRFAN-UFUCKMQHSA-N. The full InChI is InChI=1S/C27H39O2P/c1-8-9-11-22-12-10-13-25(22)30(23-14-18(2)26(28-6)19(3)15-23)24-16-20(4)27(29-7)21(5)17-24/h14-17,22,25H,8-13H2,1-7H3/t22-,25?/m1/s1.
What are the key properties of [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
[(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane has a molecular weight of 426.58 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 144514442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).