3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene

C18H30P2S — CID 11427791

IUPAC3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene
SMILESCc1sc(C)c(P2[C@H](C)CC[C@H]2C)c1P1[C@H](C)CC[C@H]1C
InChIInChI=1S/C18H30P2S/c1-11-7-8-12(2)19(11)17-15(5)21-16(6)18(17)20-13(3)9-10-14(20)4/h11-14H,7-10H2,1-6H3/t11-,12-,13-,14-/m1/s1
InChIKeyQDESAQCWGHWXJF-AAVRWANBSA-N
MW340.45 g/mol
LogP5.72
Rot. Bonds2

About 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene

3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene (PubChem CID 11427791) has the molecular formula C18H30P2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene
PubChem CID11427791
Molecular FormulaC18H30P2S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene
SMILESCc1sc(C)c(P2[C@H](C)CC[C@H]2C)c1P1[C@H](C)CC[C@H]1C
InChIInChI=1S/C18H30P2S/c1-11-7-8-12(2)19(11)17-15(5)21-16(6)18(17)20-13(3)9-10-14(20)4/h11-14H,7-10H2,1-6H3/t11-,12-,13-,14-/m1/s1
InChIKeyQDESAQCWGHWXJF-AAVRWANBSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene?
The IUPAC name of 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene (CID 11427791) is 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene.
What is the SMILES notation for 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene?
The canonical SMILES for 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene is Cc1sc(C)c(P2[C@H](C)CC[C@H]2C)c1P1[C@H](C)CC[C@H]1C.
What is the InChIKey of 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene?
The InChIKey is QDESAQCWGHWXJF-AAVRWANBSA-N. The full InChI is InChI=1S/C18H30P2S/c1-11-7-8-12(2)19(11)17-15(5)21-16(6)18(17)20-13(3)9-10-14(20)4/h11-14H,7-10H2,1-6H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene?
3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene has a molecular weight of 340.45 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dimethylthiophene is sourced from PubChem (CID 11427791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).