tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium

C19H41OP2+ — CID 58470957

IUPACtert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium
SMILESC[C@@H](C1CCCC1[PH+](O)C(C)(C)C)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H40OP2/c1-14(21(17(2,3)4)18(5,6)7)15-12-11-13-16(15)22(20)19(8,9)10/h14-16,20H,11-13H2,1-10H3/p+1/t14-,15?,16?,22?/m0/s1
InChIKeyXAKNXFIWNQEWFC-QRBXSHHESA-O
MW347.48 g/mol
LogP6.54
Rot. Bonds3

About tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium

tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium (PubChem CID 58470957) has the molecular formula C19H41OP2+ and a molecular weight of 347.48 g/mol. Its IUPAC name is tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium.

Molecular Properties

Compound Nametert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium
PubChem CID58470957
Molecular FormulaC19H41OP2+
Molecular Weight347.48 g/mol
Exact Mass347.26
IUPAC Nametert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium
SMILESC[C@@H](C1CCCC1[PH+](O)C(C)(C)C)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H40OP2/c1-14(21(17(2,3)4)18(5,6)7)15-12-11-13-16(15)22(20)19(8,9)10/h14-16,20H,11-13H2,1-10H3/p+1/t14-,15?,16?,22?/m0/s1
InChIKeyXAKNXFIWNQEWFC-QRBXSHHESA-O
XLogP6.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)
CID 58470966
ditert-butyl-[1-[(1R)-2-dicyclohexylphosphanylcyclopentyl]ethyl]phosphane
CID 137018906
cyclopentane;ditert-butyl-[(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064270
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76689541
cyclopentane;ditert-butyl-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 91663083
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117061916
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane;cyclopentane;iron
CID 162287013
cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron
CID 155884987
1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76667487
1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 123791753
tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid
CID 58470961
cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064299

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium?
The IUPAC name of tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium (CID 58470957) is tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium.
What is the SMILES notation for tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium?
The canonical SMILES for tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium is C[C@@H](C1CCCC1[PH+](O)C(C)(C)C)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium?
The InChIKey is XAKNXFIWNQEWFC-QRBXSHHESA-O. The full InChI is InChI=1S/C19H40OP2/c1-14(21(17(2,3)4)18(5,6)7)15-12-11-13-16(15)22(20)19(8,9)10/h14-16,20H,11-13H2,1-10H3/p+1/t14-,15?,16?,22?/m0/s1.
What are the key properties of tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium?
tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium has a molecular weight of 347.48 g/mol, XLogP of 6.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium is sourced from PubChem (CID 58470957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).