(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one

C17H28O2Si — CID 10859313

IUPAC(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-14-9-8-13(18)15-11-6-7-12(10-11)16(14)15/h6-7,11-12,14-16H,8-10H2,1-5H3/t11-,12+,14-,15+,16-/m1/s1
InChIKeyFCKBUSDBOZJVPM-XHXGSEDSSA-N
MW292.50 g/mol
LogP4.18
Rot. Bonds2

About (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one

(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one (PubChem CID 10859313) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one.

Molecular Properties

Compound Name(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
PubChem CID10859313
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-14-9-8-13(18)15-11-6-7-12(10-11)16(14)15/h6-7,11-12,14-16H,8-10H2,1-5H3/t11-,12+,14-,15+,16-/m1/s1
InChIKeyFCKBUSDBOZJVPM-XHXGSEDSSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.18
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'}

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Related Compounds

(4S,4aR,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
CID 10891740
(1S,6R,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 100920341
(1S,2R,6R,7S,8R)-6-methoxytricyclo[6.2.1.02,7]undec-9-en-3-one
CID 134987492
(6aR,6bS,7S,9S,10aR,11aS,11bR)-9-acetyl-7-[tert-butyl(dimethyl)silyl]oxy-11b-methyl-10-methylidene-1,2,5,6,6a,6b,7,8,9,10a,11,11a-dodecahydrobenzo[a]fluoren-3-one
CID 135021656
1-Formyl-8-(triisopropylsilyl)oxy-2-methyl-1beta,2alpha,(4A)alpha,5,6,7,8beta,(8A)beta-octahydronaphthalene
CID 10405647
(4S)-4-{(2R)-2-[(1R, 7aR)-octahydro-4-trimethylsilyloxy-7a-methyl-1H-inden-1-yl]-propyl}-2-cyclopenten-1-one
CID 57055066
(4S)-4-[(2R)-2-[(1R,7aS)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]cyclopent-2-en-1-one
CID 70187608
4-[Hex-5-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 140476941
4-[Hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 140476948
(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbaldehyde
CID 9975206
(6Z)-6-[(3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hexan-2-one
CID 10861442
(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 10979155

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The IUPAC name of (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one (CID 10859313) is (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one.
What is the SMILES notation for (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The canonical SMILES for (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The InChIKey is FCKBUSDBOZJVPM-XHXGSEDSSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-14-9-8-13(18)15-11-6-7-12(10-11)16(14)15/h6-7,11-12,14-16H,8-10H2,1-5H3/t11-,12+,14-,15+,16-/m1/s1.
What are the key properties of (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one?
(1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one has a molecular weight of 292.50 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one is sourced from PubChem (CID 10859313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).