tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane

C23H38O2Si — CID 102481706

IUPACtert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane
SMILESCC1=CC2=CC[C@]3(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]3[C@@]23CC[C@]1(C)O3
InChIInChI=1S/C23H38O2Si/c1-16-15-17-11-12-21(5)18(23(17)14-13-22(16,6)25-23)9-10-19(21)24-26(7,8)20(2,3)4/h11,15,18-19H,9-10,12-14H2,1-8H3/t18-,19+,21+,22+,23-/m1/s1
InChIKeyFPPIJTJTQAYKQR-VLKNYHPOSA-N
MW374.64 g/mol
LogP6.39
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane (PubChem CID 102481706) has the molecular formula C23H38O2Si and a molecular weight of 374.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane
PubChem CID102481706
Molecular FormulaC23H38O2Si
Molecular Weight374.64 g/mol
Exact Mass374.26
IUPAC Nametert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane
SMILESCC1=CC2=CC[C@]3(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]3[C@@]23CC[C@]1(C)O3
InChIInChI=1S/C23H38O2Si/c1-16-15-17-11-12-21(5)18(23(17)14-13-22(16,6)25-23)9-10-19(21)24-26(7,8)20(2,3)4/h11,15,18-19H,9-10,12-14H2,1-8H3/t18-,19+,21+,22+,23-/m1/s1
InChIKeyFPPIJTJTQAYKQR-VLKNYHPOSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane (CID 102481706) is tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane is CC1=CC2=CC[C@]3(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]3[C@@]23CC[C@]1(C)O3.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane?
The InChIKey is FPPIJTJTQAYKQR-VLKNYHPOSA-N. The full InChI is InChI=1S/C23H38O2Si/c1-16-15-17-11-12-21(5)18(23(17)14-13-22(16,6)25-23)9-10-19(21)24-26(7,8)20(2,3)4/h11,15,18-19H,9-10,12-14H2,1-8H3/t18-,19+,21+,22+,23-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane has a molecular weight of 374.64 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,2R,5S,6S,12S)-6,11,12-trimethyl-15-oxatetracyclo[10.2.1.01,9.02,6]pentadeca-8,10-dien-5-yl]oxy]silane is sourced from PubChem (CID 102481706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).