[(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane

C19H39BSn2 — CID 12621519

IUPAC[(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane
SMILESCC(C)B(/C(=C(/C#C[Sn](C)(C)C)[Sn](C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H21B.6CH3.2Sn/c1-8-9-13(10(2)3)14(11(4)5)12(6)7;;;;;;;;/h10-12H,2-7H3;6*1H3;;
InChIKeyGOGICFCGUWCURH-UHFFFAOYSA-N
MW515.76 g/mol
LogP6.55
Rot. Bonds5

About [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane

[(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane (PubChem CID 12621519) has the molecular formula C19H39BSn2 and a molecular weight of 515.76 g/mol. Its IUPAC name is [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane.

Molecular Properties

Compound Name[(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane
PubChem CID12621519
Molecular FormulaC19H39BSn2
Molecular Weight515.76 g/mol
Exact Mass518.12
IUPAC Name[(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane
SMILESCC(C)B(/C(=C(/C#C[Sn](C)(C)C)[Sn](C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H21B.6CH3.2Sn/c1-8-9-13(10(2)3)14(11(4)5)12(6)7;;;;;;;;/h10-12H,2-7H3;6*1H3;;
InChIKeyGOGICFCGUWCURH-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.76
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-di(propan-2-yl)boranyl-4-methylpent-2-en-2-yl]-triethylplumbane
CID 134904016
2,6-Diethyl-1,1-dimethyl-3,4,5-tri(propan-2-yl)-1,4-stannaborinine
CID 21598092
1,1-Dimethyl-3,4,5-tri(propan-2-yl)-2,6-dipropyl-1,4-stannaborinine
CID 21598093
[(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide
CID 10937791
CID 10937792
CID 10937792
1,1,2,6-Tetramethyl-3,4,5-tri(propan-2-yl)-1,4-stannaborinine
CID 12415440
but-1-ynyl-[(E)-4-dimethylstannanyliumyl-2-methylhex-3-en-3-yl]-di(propan-2-yl)boranuide
CID 15867015
[(E)-2-dimethylstannanyliumylpent-2-en-3-yl]-diethyl-prop-1-ynylboranuide
CID 21598045
but-1-ynyl-[(E)-4-dimethylstannanyliumylhex-3-en-3-yl]-diethylboranuide
CID 21598046
[(E)-4-dimethylstannanyliumyl-5-methylhex-3-en-3-yl]-diethyl-(3-methylbut-1-ynyl)boranuide
CID 21598047
3,3-dimethylbut-1-ynyl-[(E)-4-dimethylstannanyliumyl-5,5-dimethylhex-3-en-3-yl]-diethylboranuide
CID 21598049
[(E)-2-dimethylstannanyliumyl-4-methylpent-2-en-3-yl]-di(propan-2-yl)-prop-1-ynylboranuide
CID 21598054

Frequently Asked Questions

What is the IUPAC name of [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane?
The IUPAC name of [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane (CID 12621519) is [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane.
What is the SMILES notation for [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane?
The canonical SMILES for [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane is CC(C)B(/C(=C(/C#C[Sn](C)(C)C)[Sn](C)(C)C)C(C)C)C(C)C.
What is the InChIKey of [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane?
The InChIKey is GOGICFCGUWCURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21B.6CH3.2Sn/c1-8-9-13(10(2)3)14(11(4)5)12(6)7;;;;;;;;/h10-12H,2-7H3;6*1H3;;.
What are the key properties of [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane?
[(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane has a molecular weight of 515.76 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane is sourced from PubChem (CID 12621519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).