(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane

C20H38P2 — CID 123179204

IUPAC(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane
SMILESC[C@H]1C[C@H](C)P1C1CCCC1.C[C@H]1C[C@H](C)P1C1CCCC1
InChIInChI=1S/2C10H19P/c2*1-8-7-9(2)11(8)10-5-3-4-6-10/h2*8-10H,3-7H2,1-2H3/t2*8-,9-/m00/s1
InChIKeyBPWUEMHYPHJBKQ-FFNHTDCDSA-N
MW340.47 g/mol
LogP7.18
Rot. Bonds2

About (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane

(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane (PubChem CID 123179204) has the molecular formula C20H38P2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane.

Molecular Properties

Compound Name(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane
PubChem CID123179204
Molecular FormulaC20H38P2
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Name(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane
SMILESC[C@H]1C[C@H](C)P1C1CCCC1.C[C@H]1C[C@H](C)P1C1CCCC1
InChIInChI=1S/2C10H19P/c2*1-8-7-9(2)11(8)10-5-3-4-6-10/h2*8-10H,3-7H2,1-2H3/t2*8-,9-/m00/s1
InChIKeyBPWUEMHYPHJBKQ-FFNHTDCDSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 57.18
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

bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
CID 155884997
1-cyclopentyl-2,5-diethylphospholane
CID 91984020
2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane
CID 145220822
(2R,5R)-1,2,5-tricyclohexylphospholane
CID 101395115
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopentyl]-2,5-dimethylphospholane
CID 139306014
9-methyl-9-phosphabicyclo[3.3.1]nonane
CID 18343626
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
methylcyclopentane
CID 7296
9-fluoro-9-phosphabicyclo[4.2.1]nonane
CID 89001054
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
1,3,5-trimethylcyclododecane
CID 123355776
1,2-dimethylcyclononadecane
CID 123549851

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane?
The IUPAC name of (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane (CID 123179204) is (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane.
What is the SMILES notation for (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane?
The canonical SMILES for (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane is C[C@H]1C[C@H](C)P1C1CCCC1.C[C@H]1C[C@H](C)P1C1CCCC1.
What is the InChIKey of (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane?
The InChIKey is BPWUEMHYPHJBKQ-FFNHTDCDSA-N. The full InChI is InChI=1S/2C10H19P/c2*1-8-7-9(2)11(8)10-5-3-4-6-10/h2*8-10H,3-7H2,1-2H3/t2*8-,9-/m00/s1.
What are the key properties of (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane?
(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane has a molecular weight of 340.47 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane is sourced from PubChem (CID 123179204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).