[(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane

C23H40OSi — CID 91749485

IUPAC[(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane
SMILESC=C1C[C@@]23CCC4[C@](C)(CO[Si](C)(C)C)CCC[C@@]4(C)C2CCC1C3
InChIInChI=1S/C23H40OSi/c1-17-14-23-13-10-19-21(2,16-24-25(4,5)6)11-7-12-22(19,3)20(23)9-8-18(17)15-23/h18-20H,1,7-16H2,2-6H3/t18?,19?,20?,21-,22+,23+/m0/s1
InChIKeyROUGQYHITZRPPQ-DSJBWLRPSA-N
MW360.66 g/mol
LogP6.81
Rot. Bonds3

About [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane

[(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane (PubChem CID 91749485) has the molecular formula C23H40OSi and a molecular weight of 360.66 g/mol. Its IUPAC name is [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane
PubChem CID91749485
Molecular FormulaC23H40OSi
Molecular Weight360.66 g/mol
Exact Mass360.28
IUPAC Name[(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane
SMILESC=C1C[C@@]23CCC4[C@](C)(CO[Si](C)(C)C)CCC[C@@]4(C)C2CCC1C3
InChIInChI=1S/C23H40OSi/c1-17-14-23-13-10-19-21(2,16-24-25(4,5)6)11-7-12-22(19,3)20(23)9-8-18(17)15-23/h18-20H,1,7-16H2,2-6H3/t18?,19?,20?,21-,22+,23+/m0/s1
InChIKeyROUGQYHITZRPPQ-DSJBWLRPSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.66
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane 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 [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane?
The IUPAC name of [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane (CID 91749485) is [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane.
What is the SMILES notation for [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane?
The canonical SMILES for [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane is C=C1C[C@@]23CCC4[C@](C)(CO[Si](C)(C)C)CCC[C@@]4(C)C2CCC1C3.
What is the InChIKey of [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane?
The InChIKey is ROUGQYHITZRPPQ-DSJBWLRPSA-N. The full InChI is InChI=1S/C23H40OSi/c1-17-14-23-13-10-19-21(2,16-24-25(4,5)6)11-7-12-22(19,3)20(23)9-8-18(17)15-23/h18-20H,1,7-16H2,2-6H3/t18?,19?,20?,21-,22+,23+/m0/s1.
What are the key properties of [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane?
[(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane has a molecular weight of 360.66 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R,9S)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy-trimethylsilane is sourced from PubChem (CID 91749485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).