dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane

C13H26O3Si — CID 134822028

IUPACdimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane
SMILESC=C(C)[C@H]1CC[C@H](C)C[C@H]1O[Si](C)(OC)OC
InChIInChI=1S/C13H26O3Si/c1-10(2)12-8-7-11(3)9-13(12)16-17(6,14-4)15-5/h11-13H,1,7-9H2,2-6H3/t11-,12+,13+/m0/s1
InChIKeyPTTWHKBTLUVMTH-YNEHKIRRSA-N
MW258.43 g/mol
LogP3.25
Rot. Bonds5

About dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane

dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane (PubChem CID 134822028) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane.

Molecular Properties

Compound Namedimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane
PubChem CID134822028
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namedimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane
SMILESC=C(C)[C@H]1CC[C@H](C)C[C@H]1O[Si](C)(OC)OC
InChIInChI=1S/C13H26O3Si/c1-10(2)12-8-7-11(3)9-13(12)16-17(6,14-4)15-5/h11-13H,1,7-9H2,2-6H3/t11-,12+,13+/m0/s1
InChIKeyPTTWHKBTLUVMTH-YNEHKIRRSA-N
XLogP3.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane 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 dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane?
The IUPAC name of dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane (CID 134822028) is dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane.
What is the SMILES notation for dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane?
The canonical SMILES for dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane is C=C(C)[C@H]1CC[C@H](C)C[C@H]1O[Si](C)(OC)OC.
What is the InChIKey of dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane?
The InChIKey is PTTWHKBTLUVMTH-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10(2)12-8-7-11(3)9-13(12)16-17(6,14-4)15-5/h11-13H,1,7-9H2,2-6H3/t11-,12+,13+/m0/s1.
What are the key properties of dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane?
dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane has a molecular weight of 258.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[(1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxysilane is sourced from PubChem (CID 134822028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).