(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane

C21H40P2 — CID 58900685

IUPAC(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane
SMILESCC[C@@H]1CC[C@@H](CC)P1C1CCCC1P1[C@@H](CC)CC[C@@H]1CC
InChIInChI=1S/C21H40P2/c1-5-16-12-13-17(6-2)22(16)20-10-9-11-21(20)23-18(7-3)14-15-19(23)8-4/h16-21H,5-15H2,1-4H3/t16-,17-,18+,19+,20?,21?
InChIKeyUWOJWDCCDPSLHN-ZZXHIZJNSA-N
MW354.50 g/mol
LogP7.57
Rot. Bonds6

About (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane

(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane (PubChem CID 58900685) has the molecular formula C21H40P2 and a molecular weight of 354.50 g/mol. Its IUPAC name is (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane.

Molecular Properties

Compound Name(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane
PubChem CID58900685
Molecular FormulaC21H40P2
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane
SMILESCC[C@@H]1CC[C@@H](CC)P1C1CCCC1P1[C@@H](CC)CC[C@@H]1CC
InChIInChI=1S/C21H40P2/c1-5-16-12-13-17(6-2)22(16)20-10-9-11-21(20)23-18(7-3)14-15-19(23)8-4/h16-21H,5-15H2,1-4H3/t16-,17-,18+,19+,20?,21?
InChIKeyUWOJWDCCDPSLHN-ZZXHIZJNSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 57.57
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

(2R,5R)-2,5-diethyl-1-[2-[(2R)-2-ethylphospholan-1-yl]cyclopentyl]phospholane
CID 134577138
1-cyclopentyl-2,5-diethylphospholane
CID 91984020
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopentyl]-2,5-dimethylphospholane
CID 139306014
2,5-diethyl-1-propan-2-ylphospholane
CID 121459830
2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane
CID 145220822
2,5-diethyl-1-pentylphospholane
CID 140639652
(5S)-5-ethylcyclononan-1-amine
CID 163875041
(2R)-2-ethyl-1-[1-[(2R)-2-ethylphospholan-1-yl]ethyl]phospholane
CID 134344217
carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)
CID 162281940
ethylcyclobutane;methanamine
CID 175532329
carbanide;bis(ethylcyclopentane);tungsten dihydride
CID 164887185
cyclopropane;ethylcyclobutane;propane
CID 142456817

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane?
The IUPAC name of (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane (CID 58900685) is (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane.
What is the SMILES notation for (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane?
The canonical SMILES for (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane is CC[C@@H]1CC[C@@H](CC)P1C1CCCC1P1[C@@H](CC)CC[C@@H]1CC.
What is the InChIKey of (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane?
The InChIKey is UWOJWDCCDPSLHN-ZZXHIZJNSA-N. The full InChI is InChI=1S/C21H40P2/c1-5-16-12-13-17(6-2)22(16)20-10-9-11-21(20)23-18(7-3)14-15-19(23)8-4/h16-21H,5-15H2,1-4H3/t16-,17-,18+,19+,20?,21?.
What are the key properties of (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane?
(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane has a molecular weight of 354.50 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane is sourced from PubChem (CID 58900685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).