chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane

C8H16B2Cl2 — CID 101211501

IUPACchloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane
SMILESCC/C(B(C)Cl)=C(\CC)B(C)Cl
InChIInChI=1S/C8H16B2Cl2/c1-5-7(9(3)11)8(6-2)10(4)12/h5-6H2,1-4H3/b8-7-
InChIKeyVYODEBXQUDDWEL-FPLPWBNLSA-N
MW204.75 g/mol
LogP3.90
Rot. Bonds4

About chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane

chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane (PubChem CID 101211501) has the molecular formula C8H16B2Cl2 and a molecular weight of 204.75 g/mol. Its IUPAC name is chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane.

Molecular Properties

Compound Namechloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane
PubChem CID101211501
Molecular FormulaC8H16B2Cl2
Molecular Weight204.75 g/mol
Exact Mass204.08
IUPAC Namechloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane
SMILESCC/C(B(C)Cl)=C(\CC)B(C)Cl
InChIInChI=1S/C8H16B2Cl2/c1-5-7(9(3)11)8(6-2)10(4)12/h5-6H2,1-4H3/b8-7-
InChIKeyVYODEBXQUDDWEL-FPLPWBNLSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.75
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Borane, ((1Z)-1-ethyl-2-methyl-1,2-ethenediyl)bis(diethyl-
CID 15733565
[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylborane
CID 15733569
Borane, (1,2-diethyl-1,2-ethenediyl)bis[diethyl-
CID 5365814
dichloro-[(Z)-4-dichloroboranylhex-3-en-3-yl]borane
CID 14292371
1,3-Dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole
CID 14292374
dichloro-[(Z)-4-dichloroboranyl-2,2,5,5-tetramethylhex-3-en-3-yl]borane
CID 21678464
CID 58289256
CID 58289256
CID 76742319
CID 76742319

Frequently Asked Questions

What is the IUPAC name of chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane?
The IUPAC name of chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane (CID 101211501) is chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane.
What is the SMILES notation for chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane?
The canonical SMILES for chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane is CC/C(B(C)Cl)=C(\CC)B(C)Cl.
What is the InChIKey of chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane?
The InChIKey is VYODEBXQUDDWEL-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H16B2Cl2/c1-5-7(9(3)11)8(6-2)10(4)12/h5-6H2,1-4H3/b8-7-.
What are the key properties of chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane?
chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane has a molecular weight of 204.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(Z)-4-[chloro(methyl)boranyl]hex-3-en-3-yl]-methylborane is sourced from PubChem (CID 101211501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).