1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane

C29H44P2 — CID 76689541

IUPAC1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
SMILESCc1ccc(P(c2ccc(C)cc2)C2CCCC2C(C)P(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C29H44P2/c1-21-13-17-24(18-14-21)30(25-19-15-22(2)16-20-25)27-12-10-11-26(27)23(3)31(28(4,5)6)29(7,8)9/h13-20,23,26-27H,10-12H2,1-9H3
InChIKeySNQAFBVWFFKHDQ-UHFFFAOYSA-N
MW454.62 g/mol
LogP8.37
Rot. Bonds5

About 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane

1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane (PubChem CID 76689541) has the molecular formula C29H44P2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane.

Molecular Properties

Compound Name1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
PubChem CID76689541
Molecular FormulaC29H44P2
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Name1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
SMILESCc1ccc(P(c2ccc(C)cc2)C2CCCC2C(C)P(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C29H44P2/c1-21-13-17-24(18-14-21)30(25-19-15-22(2)16-20-25)27-12-10-11-26(27)23(3)31(28(4,5)6)29(7,8)9/h13-20,23,26-27H,10-12H2,1-9H3
InChIKeySNQAFBVWFFKHDQ-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 58.37
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

1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane;cyclopentane;iron
CID 162287013
1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76667487
cyclopentane;ditert-butyl-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 91663083
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 123791753
cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064299
ditert-butyl-[1-[(1R)-2-dicyclohexylphosphanylcyclopentyl]ethyl]phosphane
CID 137018906
[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron
CID 162302601
cyclopentane;ditert-butyl-[(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064270
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
CID 140562071
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985

Frequently Asked Questions

What is the IUPAC name of 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
The IUPAC name of 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane (CID 76689541) is 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane.
What is the SMILES notation for 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
The canonical SMILES for 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane is Cc1ccc(P(c2ccc(C)cc2)C2CCCC2C(C)P(C(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
The InChIKey is SNQAFBVWFFKHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44P2/c1-21-13-17-24(18-14-21)30(25-19-15-22(2)16-20-25)27-12-10-11-26(27)23(3)31(28(4,5)6)29(7,8)9/h13-20,23,26-27H,10-12H2,1-9H3.
What are the key properties of 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane has a molecular weight of 454.62 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane is sourced from PubChem (CID 76689541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).