trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane

C13H22Sn — CID 177398138

IUPACtrimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane
SMILESC=CC[C@H]1[C@@H]([Sn](C)(C)C)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C10H13.3CH3.Sn/c1-2-3-9-6-8-4-5-10(9)7-8;;;;/h2,4-6,8-10H,1,3,7H2;3*1H3;/t8-,9-,10-;;;;/m0..../s1
InChIKeySGCDKXMPMJHUJQ-OSBAOLSJSA-N
MW297.03 g/mol
LogP4.09
Rot. Bonds3

About trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane

trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane (PubChem CID 177398138) has the molecular formula C13H22Sn and a molecular weight of 297.03 g/mol. Its IUPAC name is trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane.

Molecular Properties

Compound Nametrimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane
PubChem CID177398138
Molecular FormulaC13H22Sn
Molecular Weight297.03 g/mol
Exact Mass298.07
IUPAC Nametrimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane
SMILESC=CC[C@H]1[C@@H]([Sn](C)(C)C)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C10H13.3CH3.Sn/c1-2-3-9-6-8-4-5-10(9)7-8;;;;/h2,4-6,8-10H,1,3,7H2;3*1H3;/t8-,9-,10-;;;;/m0..../s1
InChIKeySGCDKXMPMJHUJQ-OSBAOLSJSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.03
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane with MolForge

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Related Compounds

2-[3-(2-oxoethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetaldehyde
CID 59748043
5-but-3-enyl-6-methylbicyclo[2.2.1]hept-2-ene
CID 123797135
5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene
CID 23119553
[(1S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 23555960
4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 66486601
1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane
CID 142247047
(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 130985593
3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal
CID 59748167
bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 98168327
3-[(Z)-2-[2,4-bis(ethenyl)-3-prop-2-enylcyclopentyl]ethenyl]-1-ethenyl-1,2,3,3a,4,6a-hexahydropentalene;dideuteriomethylphosphane;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 165026935
(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 98532681
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane?
The IUPAC name of trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane (CID 177398138) is trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane.
What is the SMILES notation for trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane?
The canonical SMILES for trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane is C=CC[C@H]1[C@@H]([Sn](C)(C)C)[C@@H]2C=C[C@H]1C2.
What is the InChIKey of trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane?
The InChIKey is SGCDKXMPMJHUJQ-OSBAOLSJSA-N. The full InChI is InChI=1S/C10H13.3CH3.Sn/c1-2-3-9-6-8-4-5-10(9)7-8;;;;/h2,4-6,8-10H,1,3,7H2;3*1H3;/t8-,9-,10-;;;;/m0..../s1.
What are the key properties of trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane?
trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane has a molecular weight of 297.03 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane is sourced from PubChem (CID 177398138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).