1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium

C16H26P2Y-2 — CID 59017162

IUPAC1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium
SMILES[3H]/[C-]=C(C(=[C-]/[3H])/P1C(C)CCC1C)\P1C(C)CCC1C.[Y]
InChIInChI=1S/C16H26P2.Y/c1-11-7-8-12(2)17(11)15(5)16(6)18-13(3)9-10-14(18)4;/h5-6,11-14H,7-10H2,1-4H3;/q-2;/i5T,6T;
InChIKeySXVBBPGYHKKRGP-JEJBHRHBSA-N
MW373.25 g/mol
LogP5.72
Rot. Bonds3

About 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium

1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium (PubChem CID 59017162) has the molecular formula C16H26P2Y-2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium.

Molecular Properties

Compound Name1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium
PubChem CID59017162
Molecular FormulaC16H26P2Y-2
Molecular Weight373.25 g/mol
Exact Mass373.07
IUPAC Name1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium
SMILES[3H]/[C-]=C(C(=[C-]/[3H])/P1C(C)CCC1C)\P1C(C)CCC1C.[Y]
InChIInChI=1S/C16H26P2.Y/c1-11-7-8-12(2)17(11)15(5)16(6)18-13(3)9-10-14(18)4;/h5-6,11-14H,7-10H2,1-4H3;/q-2;/i5T,6T;
InChIKeySXVBBPGYHKKRGP-JEJBHRHBSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane
CID 140850102
1,4-dimethylcyclohexane;methanol
CID 70358527
1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane
CID 20643197
(2S,5S)-1-[1-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane
CID 141074063
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopentyl]-2,5-dimethylphospholane
CID 139306014
(2S)-1,2-dimethylphosphetane
CID 59207148
(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane
CID 123179204
bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
CID 155884997
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
1,1,3-trimethylphospholan-1-ium
CID 21436920
1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium
CID 10744521
methanol;(2S,3R)-2,3,4-trimethyloxane
CID 145399685

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium?
The IUPAC name of 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium (CID 59017162) is 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium.
What is the SMILES notation for 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium?
The canonical SMILES for 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium is [3H]/[C-]=C(C(=[C-]/[3H])/P1C(C)CCC1C)\P1C(C)CCC1C.[Y].
What is the InChIKey of 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium?
The InChIKey is SXVBBPGYHKKRGP-JEJBHRHBSA-N. The full InChI is InChI=1S/C16H26P2.Y/c1-11-7-8-12(2)17(11)15(5)16(6)18-13(3)9-10-14(18)4;/h5-6,11-14H,7-10H2,1-4H3;/q-2;/i5T,6T;.
What are the key properties of 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium?
1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium has a molecular weight of 373.25 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium is sourced from PubChem (CID 59017162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).