[(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane

C13H29BOSn — CID 14270996

IUPAC[(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane
SMILESCCB(CC)/C(CC)=C(/COC)[Sn](C)(C)C
InChIInChI=1S/C10H20BO.3CH3.Sn/c1-5-10(8-9-12-4)11(6-2)7-3;;;;/h5-7,9H2,1-4H3;3*1H3;
InChIKeyPXPDRPGQWFPNMC-UHFFFAOYSA-N
MW330.90 g/mol
LogP4.29
Rot. Bonds7

About [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane

[(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane (PubChem CID 14270996) has the molecular formula C13H29BOSn and a molecular weight of 330.90 g/mol. Its IUPAC name is [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane
PubChem CID14270996
Molecular FormulaC13H29BOSn
Molecular Weight330.90 g/mol
Exact Mass332.13
IUPAC Name[(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane
SMILESCCB(CC)/C(CC)=C(/COC)[Sn](C)(C)C
InChIInChI=1S/C10H20BO.3CH3.Sn/c1-5-10(8-9-12-4)11(6-2)7-3;;;;/h5-7,9H2,1-4H3;3*1H3;
InChIKeyPXPDRPGQWFPNMC-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane?
The IUPAC name of [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane (CID 14270996) is [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane.
What is the SMILES notation for [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane?
The canonical SMILES for [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane is CCB(CC)/C(CC)=C(/COC)[Sn](C)(C)C.
What is the InChIKey of [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane?
The InChIKey is PXPDRPGQWFPNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BO.3CH3.Sn/c1-5-10(8-9-12-4)11(6-2)7-3;;;;/h5-7,9H2,1-4H3;3*1H3;.
What are the key properties of [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane?
[(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane has a molecular weight of 330.90 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-diethylboranyl-1-methoxypent-2-en-2-yl]-trimethylstannane is sourced from PubChem (CID 14270996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).