(2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane

C20H42P2 — CID 90716246

IUPAC(2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane
SMILESCC(C)[C@@H]1CC[C@@H](C(C)C)P1C.CC[C@@H]1CC[C@@H](CC)P1C
InChIInChI=1S/C11H23P.C9H19P/c1-8(2)10-6-7-11(9(3)4)12(10)5;1-4-8-6-7-9(5-2)10(8)3/h8-11H,6-7H2,1-5H3;8-9H,4-7H2,1-3H3/t10-,11-;8-,9-/m01/s1
InChIKeyDGYDQNWWQHPOHZ-CYVKKYGBSA-N
MW344.50 g/mol
LogP7.39
Rot. Bonds4

About (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane

(2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane (PubChem CID 90716246) has the molecular formula C20H42P2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane.

Molecular Properties

Compound Name(2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane
PubChem CID90716246
Molecular FormulaC20H42P2
Molecular Weight344.50 g/mol
Exact Mass344.28
IUPAC Name(2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane
SMILESCC(C)[C@@H]1CC[C@@H](C(C)C)P1C.CC[C@@H]1CC[C@@H](CC)P1C
InChIInChI=1S/C11H23P.C9H19P/c1-8(2)10-6-7-11(9(3)4)12(10)5;1-4-8-6-7-9(5-2)10(8)3/h8-11H,6-7H2,1-5H3;8-9H,4-7H2,1-3H3/t10-,11-;8-,9-/m01/s1
InChIKeyDGYDQNWWQHPOHZ-CYVKKYGBSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.39
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

2,5-diethyl-1-propan-2-ylphospholane
CID 121459830
(2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane
CID 162785631
(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane
CID 166973641
(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane
CID 58900685
(2R)-2-ethyl-1-[1-[(2R)-2-ethylphospholan-1-yl]ethyl]phospholane
CID 134344217
1-cyclopentyl-2,5-diethylphospholane
CID 91984020
2-methyl-1,5-di(propan-2-yl)phospholane
CID 146200751
1,2-dimethyl-5-(6-methylheptan-3-yl)phospholane
CID 155301887
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1,2-diethyl-3-propan-2-ylcyclopentane
CID 123700425
3-ethyl-2-propan-2-ylpyrrolidine
CID 4239947
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

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane?
The IUPAC name of (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane (CID 90716246) is (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane.
What is the SMILES notation for (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane?
The canonical SMILES for (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane is CC(C)[C@@H]1CC[C@@H](C(C)C)P1C.CC[C@@H]1CC[C@@H](CC)P1C.
What is the InChIKey of (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane?
The InChIKey is DGYDQNWWQHPOHZ-CYVKKYGBSA-N. The full InChI is InChI=1S/C11H23P.C9H19P/c1-8(2)10-6-7-11(9(3)4)12(10)5;1-4-8-6-7-9(5-2)10(8)3/h8-11H,6-7H2,1-5H3;8-9H,4-7H2,1-3H3/t10-,11-;8-,9-/m01/s1.
What are the key properties of (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane?
(2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane has a molecular weight of 344.50 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-diethyl-1-methylphospholane;(2S,5S)-1-methyl-2,5-di(propan-2-yl)phospholane is sourced from PubChem (CID 90716246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).