(1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one

C27H46O2Si — CID 102309219

IUPAC(1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one
SMILESC=C1C[C@]23[C@@H](CC[C@H]4[C@@](C)(CO[Si](C)(C)C(C)(C)C)CCC[C@@]42C)CC(C)C(=O)[C@@H]13
InChIInChI=1S/C27H46O2Si/c1-18-15-20-11-12-21-25(6,17-29-30(8,9)24(3,4)5)13-10-14-26(21,7)27(20)16-19(2)22(27)23(18)28/h18,20-22H,2,10-17H2,1,3-9H3/t18?,20-,21-,22+,25+,26-,27+/m0/s1
InChIKeyMIHDUJKAJLWHOZ-HEVAWBRXSA-N
MW430.75 g/mol
LogP7.40
Rot. Bonds3

About (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one

(1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one (PubChem CID 102309219) has the molecular formula C27H46O2Si and a molecular weight of 430.75 g/mol. Its IUPAC name is (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one.

Molecular Properties

Compound Name(1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one
PubChem CID102309219
Molecular FormulaC27H46O2Si
Molecular Weight430.75 g/mol
Exact Mass430.33
IUPAC Name(1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one
SMILESC=C1C[C@]23[C@@H](CC[C@H]4[C@@](C)(CO[Si](C)(C)C(C)(C)C)CCC[C@@]42C)CC(C)C(=O)[C@@H]13
InChIInChI=1S/C27H46O2Si/c1-18-15-20-11-12-21-25(6,17-29-30(8,9)24(3,4)5)13-10-14-26(21,7)27(20)16-19(2)22(27)23(18)28/h18,20-22H,2,10-17H2,1,3-9H3/t18?,20-,21-,22+,25+,26-,27+/m0/s1
InChIKeyMIHDUJKAJLWHOZ-HEVAWBRXSA-N
XLogP7.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.75
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one 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 (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one?
The IUPAC name of (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one (CID 102309219) is (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one.
What is the SMILES notation for (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one?
The canonical SMILES for (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one is C=C1C[C@]23[C@@H](CC[C@H]4[C@@](C)(CO[Si](C)(C)C(C)(C)C)CCC[C@@]42C)CC(C)C(=O)[C@@H]13.
What is the InChIKey of (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one?
The InChIKey is MIHDUJKAJLWHOZ-HEVAWBRXSA-N. The full InChI is InChI=1S/C27H46O2Si/c1-18-15-20-11-12-21-25(6,17-29-30(8,9)24(3,4)5)13-10-14-26(21,7)27(20)16-19(2)22(27)23(18)28/h18,20-22H,2,10-17H2,1,3-9H3/t18?,20-,21-,22+,25+,26-,27+/m0/s1.
What are the key properties of (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one?
(1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one has a molecular weight of 430.75 g/mol, XLogP of 7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one is sourced from PubChem (CID 102309219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).