[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane

C24H50B2Sn — CID 134906561

IUPAC[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane
SMILESCCCC1=C(CCC)[C@@](CC)(B(CC)CC)[Sn](C)(C)[C@@]1(CC)B(CC)CC
InChIInChI=1S/C22H44B2.2CH3.Sn/c1-9-17-19(21(11-3)23(13-5)14-6)20(18-10-2)22(12-4)24(15-7)16-8;;;/h9-18H2,1-8H3;2*1H3;/b20-19-;;;
InChIKeyYBMGNKSXINFVCW-MXJQDMALSA-N
MW479.00 g/mol
LogP9.05
Rot. Bonds12

About [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane

[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane (PubChem CID 134906561) has the molecular formula C24H50B2Sn and a molecular weight of 479.00 g/mol. Its IUPAC name is [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane.

Molecular Properties

Compound Name[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane
PubChem CID134906561
Molecular FormulaC24H50B2Sn
Molecular Weight479.00 g/mol
Exact Mass480.31
IUPAC Name[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane
SMILESCCCC1=C(CCC)[C@@](CC)(B(CC)CC)[Sn](C)(C)[C@@]1(CC)B(CC)CC
InChIInChI=1S/C22H44B2.2CH3.Sn/c1-9-17-19(21(11-3)23(13-5)14-6)20(18-10-2)22(12-4)24(15-7)16-8;;;/h9-18H2,1-8H3;2*1H3;/b20-19-;;;
InChIKeyYBMGNKSXINFVCW-MXJQDMALSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.00
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-dichloro-1,2-dipropylcyclopropene
CID 134877644
trimethyl-(1,2,3,4,5-pentapropylcyclopenta-2,4-dien-1-yl)silane
CID 156896873
1,4-dipropylcyclopenta-1,3-diene
CID 19391248
5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene
CID 10246100
1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene
CID 67330757
2-diethylboranyl-2-ethylcyclohexan-1-one
CID 86230745
2-propylterephthalaldehyde
CID 134537626
(1Z,3Z,5Z,7Z)-1,2,5,6-tetrapropylcycloocta-1,3,5,7-tetraene
CID 102028748
(1Z,4Z,6S,8R)-1,2,3,3,4,5,6,7,8-nonapropylcycloocta-1,4-diene
CID 173419999
4-propylpyrimidine
CID 18996562
3,6-dipropylbenzene-1,2-diolate;nickel(2+)
CID 160952514
(E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
CID 146026360

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane?
The IUPAC name of [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane (CID 134906561) is [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane.
What is the SMILES notation for [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane?
The canonical SMILES for [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane is CCCC1=C(CCC)[C@@](CC)(B(CC)CC)[Sn](C)(C)[C@@]1(CC)B(CC)CC.
What is the InChIKey of [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane?
The InChIKey is YBMGNKSXINFVCW-MXJQDMALSA-N. The full InChI is InChI=1S/C22H44B2.2CH3.Sn/c1-9-17-19(21(11-3)23(13-5)14-6)20(18-10-2)22(12-4)24(15-7)16-8;;;/h9-18H2,1-8H3;2*1H3;/b20-19-;;;.
What are the key properties of [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane?
[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane has a molecular weight of 479.00 g/mol, XLogP of 9.05, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane is sourced from PubChem (CID 134906561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).