trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane

C16H32OSn — CID 14970163

IUPACtrimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane
SMILESC/C=C(\O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[Sn](C)(C)C
InChIInChI=1S/C13H23O.3CH3.Sn/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3;;;;/h5,10-13H,6-7,9H2,1-4H3;3*1H3;/t11-,12+,13-;;;;/m1..../s1
InChIKeyCWKDXTVSNBLKAF-GZCRQEFQSA-N
MW359.14 g/mol
LogP5.24
Rot. Bonds4

About trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane

trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane (PubChem CID 14970163) has the molecular formula C16H32OSn and a molecular weight of 359.14 g/mol. Its IUPAC name is trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane.

Molecular Properties

Compound Nametrimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane
PubChem CID14970163
Molecular FormulaC16H32OSn
Molecular Weight359.14 g/mol
Exact Mass360.15
IUPAC Nametrimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane
SMILESC/C=C(\O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[Sn](C)(C)C
InChIInChI=1S/C13H23O.3CH3.Sn/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3;;;;/h5,10-13H,6-7,9H2,1-4H3;3*1H3;/t11-,12+,13-;;;;/m1..../s1
InChIKeyCWKDXTVSNBLKAF-GZCRQEFQSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.14
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane?
The IUPAC name of trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane (CID 14970163) is trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane.
What is the SMILES notation for trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane?
The canonical SMILES for trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane is C/C=C(\O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[Sn](C)(C)C.
What is the InChIKey of trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane?
The InChIKey is CWKDXTVSNBLKAF-GZCRQEFQSA-N. The full InChI is InChI=1S/C13H23O.3CH3.Sn/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3;;;;/h5,10-13H,6-7,9H2,1-4H3;3*1H3;/t11-,12+,13-;;;;/m1..../s1.
What are the key properties of trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane?
trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane has a molecular weight of 359.14 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]stannane is sourced from PubChem (CID 14970163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).