[(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide

C18H35BSn — CID 10937791

IUPAC[(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide
SMILESCCCC#C[B-](CC)(CC)/C(CC)=C(/CCC)[Sn+](C)C
InChIInChI=1S/C16H29B.2CH3.Sn/c1-6-11-13-15-17(9-4,10-5)16(8-3)14-12-7-2;;;/h6-12H2,1-5H3;2*1H3;/q-1;;;+1
InChIKeyRTYBCCZORLHYBL-UHFFFAOYSA-N
MW381.00 g/mol
LogP6.16
Rot. Bonds8

About [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide

[(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide (PubChem CID 10937791) has the molecular formula C18H35BSn and a molecular weight of 381.00 g/mol. Its IUPAC name is [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide.

Molecular Properties

Compound Name[(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide
PubChem CID10937791
Molecular FormulaC18H35BSn
Molecular Weight381.00 g/mol
Exact Mass382.19
IUPAC Name[(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide
SMILESCCCC#C[B-](CC)(CC)/C(CC)=C(/CCC)[Sn+](C)C
InChIInChI=1S/C16H29B.2CH3.Sn/c1-6-11-13-15-17(9-4,10-5)16(8-3)14-12-7-2;;;/h6-12H2,1-5H3;2*1H3;/q-1;;;+1
InChIKeyRTYBCCZORLHYBL-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.00
LogP ≤ 56.16
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

tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane
CID 134904028
CID 10937792
CID 10937792
[(E)-4-di(propan-2-yl)boranyl-5-methyl-1-trimethylstannylhex-3-en-1-yn-3-yl]-trimethylstannane
CID 12621519
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
[(E)-4-dimethylstannanyliumyloct-3-en-3-yl]-diethyl-hex-1-ynylboranuide
CID 21598048
3,3-dimethylbut-1-ynyl-[(E)-4-dimethylstannanyliumyl-5,5-dimethylhex-3-en-3-yl]-diethylboranuide
CID 21598049
dec-1-ynyl-[(E)-4-dimethylstannanyliumyldodec-3-en-3-yl]-diethylboranuide
CID 21598051
[(E)-2-dimethylstannanyliumyl-4-methylpent-2-en-3-yl]-di(propan-2-yl)-prop-1-ynylboranuide
CID 21598054
[(E)-4-dimethylstannanyliumyl-2-methylhept-3-en-3-yl]-pent-1-ynyl-di(propan-2-yl)boranuide
CID 21598055

Frequently Asked Questions

What is the IUPAC name of [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide?
The IUPAC name of [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide (CID 10937791) is [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide.
What is the SMILES notation for [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide?
The canonical SMILES for [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide is CCCC#C[B-](CC)(CC)/C(CC)=C(/CCC)[Sn+](C)C.
What is the InChIKey of [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide?
The InChIKey is RTYBCCZORLHYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29B.2CH3.Sn/c1-6-11-13-15-17(9-4,10-5)16(8-3)14-12-7-2;;;/h6-12H2,1-5H3;2*1H3;/q-1;;;+1.
What are the key properties of [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide?
[(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide has a molecular weight of 381.00 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-dimethylstannanyliumylhept-3-en-3-yl]-diethyl-pent-1-ynylboranuide is sourced from PubChem (CID 10937791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).