(1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one

C19H32O4Si — CID 146166022

IUPAC(1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one
SMILESCOC1(OC)C(=O)[C@]23C=CC1C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C3
InChIInChI=1S/C19H32O4Si/c1-17(2,3)24(6,7)23-15-11-14-10-13-8-9-18(14,12-15)16(20)19(13,21-4)22-5/h8-9,13-15H,10-12H2,1-7H3/t13?,14-,15+,18-/m0/s1
InChIKeyQSCPTPSRAOEWHN-MUSFGAPCSA-N
MW352.55 g/mol
LogP3.92
Rot. Bonds4

About (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one

(1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one (PubChem CID 146166022) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one.

Molecular Properties

Compound Name(1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one
PubChem CID146166022
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name(1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one
SMILESCOC1(OC)C(=O)[C@]23C=CC1C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C3
InChIInChI=1S/C19H32O4Si/c1-17(2,3)24(6,7)23-15-11-14-10-13-8-9-18(14,12-15)16(20)19(13,21-4)22-5/h8-9,13-15H,10-12H2,1-7H3/t13?,14-,15+,18-/m0/s1
InChIKeyQSCPTPSRAOEWHN-MUSFGAPCSA-N
XLogP3.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
(3aR,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 11086779
2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3,4,4a,7a,8,9,10,11,11a,14a-dodecahydropentacene-5,7,12,14-tetrone
CID 59165100
(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440
(1R,2S,3S,4R,5R,7R,9R,11S,12S,15R)-8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 124820228
8-[tert-butyl(dimethyl)silyl]oxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 12574465
(2S,7S)-2-[tert-butyl(dimethyl)silyl]oxy-11,11-dimethoxytricyclo[7.2.2.01,7]tridec-12-en-10-one
CID 101141709
[(1S,3R,5R)-9-(benzenesulfonyl)-3-tricyclo[6.3.0.01,5]undec-8-enyl]oxy-tert-butyl-dimethylsilane
CID 139252771
[9-(benzenesulfonyl)-3-tricyclo[6.3.0.01,5]undec-8-enyl]oxy-tert-butyl-dimethylsilane
CID 139252741
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane
CID 139809790
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one?
The IUPAC name of (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one (CID 146166022) is (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one.
What is the SMILES notation for (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one?
The canonical SMILES for (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one is COC1(OC)C(=O)[C@]23C=CC1C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C3.
What is the InChIKey of (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one?
The InChIKey is QSCPTPSRAOEWHN-MUSFGAPCSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-17(2,3)24(6,7)23-15-11-14-10-13-8-9-18(14,12-15)16(20)19(13,21-4)22-5/h8-9,13-15H,10-12H2,1-7H3/t13?,14-,15+,18-/m0/s1.
What are the key properties of (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one?
(1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one has a molecular weight of 352.55 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethoxytricyclo[5.2.2.01,5]undec-10-en-9-one is sourced from PubChem (CID 146166022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).