(2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol

C24H40O2Si — CID 10023200

IUPAC(2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol
SMILESCC1=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2CCC3=CCC[C@@]4(C)[C@@H]3[C@H]4C12O
InChIInChI=1S/C24H40O2Si/c1-16-10-11-18(15-26-27(6,7)22(2,3)4)19-13-12-17-9-8-14-23(5)20(17)21(23)24(16,19)25/h9-10,18-21,25H,8,11-15H2,1-7H3/t18-,19-,20+,21-,23+,24?/m1/s1
InChIKeyXJYJJISBCYWCRQ-BEADWONFSA-N
MW388.67 g/mol
LogP6.09
Rot. Bonds3

About (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol

(2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol (PubChem CID 10023200) has the molecular formula C24H40O2Si and a molecular weight of 388.67 g/mol. Its IUPAC name is (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol.

Molecular Properties

Compound Name(2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol
PubChem CID10023200
Molecular FormulaC24H40O2Si
Molecular Weight388.67 g/mol
Exact Mass388.28
IUPAC Name(2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol
SMILESCC1=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2CCC3=CCC[C@@]4(C)[C@@H]3[C@H]4C12O
InChIInChI=1S/C24H40O2Si/c1-16-10-11-18(15-26-27(6,7)22(2,3)4)19-13-12-17-9-8-14-23(5)20(17)21(23)24(16,19)25/h9-10,18-21,25H,8,11-15H2,1-7H3/t18-,19-,20+,21-,23+,24?/m1/s1
InChIKeyXJYJJISBCYWCRQ-BEADWONFSA-N
XLogP6.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol with MolForge

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Related Compounds

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 11759563
trans-(1R,2R)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 101029064
trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol
CID 134941785
(1R,4S,5S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-5,8,8-trimethyl-3-prop-2-enylbicyclo[5.1.0]oct-2-en-1-ol
CID 134952997
(3aR,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4,5,6,7,8,8a-hexahydro-1H-azulen-3a-ol
CID 138971034
(1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol
CID 158582771
(1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol
CID 159853778
(1S,4S,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol
CID 160444850
5-[hydroxy(dimethyl)silyl]-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-5-methylhexan-2-ol
CID 173695391
(1R,2R,3R,4R,11S)-4-[(Z,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-4-en-2-yl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-ol
CID 10346459
(1R,2S,4aS,8aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol
CID 10926662

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol?
The IUPAC name of (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol (CID 10023200) is (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol.
What is the SMILES notation for (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol?
The canonical SMILES for (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol is CC1=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2CCC3=CCC[C@@]4(C)[C@@H]3[C@H]4C12O.
What is the InChIKey of (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol?
The InChIKey is XJYJJISBCYWCRQ-BEADWONFSA-N. The full InChI is InChI=1S/C24H40O2Si/c1-16-10-11-18(15-26-27(6,7)22(2,3)4)19-13-12-17-9-8-14-23(5)20(17)21(23)24(16,19)25/h9-10,18-21,25H,8,11-15H2,1-7H3/t18-,19-,20+,21-,23+,24?/m1/s1.
What are the key properties of (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol?
(2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol has a molecular weight of 388.67 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,11R,12S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,15-dimethyltetracyclo[9.4.0.02,4.03,8]pentadeca-7,14-dien-1-ol is sourced from PubChem (CID 10023200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).