(1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol

C18H32O2Si — CID 71476229

IUPAC(1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESC=C(C)C[C@]1(O)[C@@H]2C=C[C@H]1C[C@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-13(2)11-18(19)15-8-9-16(18)14(10-15)12-20-21(6,7)17(3,4)5/h8-9,14-16,19H,1,10-12H2,2-7H3/t14-,15-,16+,18+/m0/s1
InChIKeyNZXXYQYQRJXWLO-LISAXSMJSA-N
MW308.54 g/mol
LogP4.53
Rot. Bonds5

About (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol

(1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 71476229) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name(1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol
PubChem CID71476229
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name(1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESC=C(C)C[C@]1(O)[C@@H]2C=C[C@H]1C[C@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-13(2)11-18(19)15-8-9-16(18)14(10-15)12-20-21(6,7)17(3,4)5/h8-9,14-16,19H,1,10-12H2,2-7H3/t14-,15-,16+,18+/m0/s1
InChIKeyNZXXYQYQRJXWLO-LISAXSMJSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.53
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 (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol with MolForge

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Related Compounds

(1S,2S,3aR,4R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-ol
CID 11034272
[(1R,3aR,4R,8aS)-1,4-dimethyl-1-triethylsilyloxy-2,3,3a,5,6,8a-hexahydroazulen-4-yl]oxy-triethylsilane
CID 44195359
(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
(1S,3aR,4R,7S)-7-(2-hydroxypropan-2-yl)-1-methyl-4-[tri(propan-2-yl)silyloxymethyl]-3,3a,4,7-tetrahydro-2H-azulen-1-ol
CID 102158595
[(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3a,4,5,6,6a-hexahydropentalen-1-yl]methanol
CID 134974069
(1R,3aR,4S,8aR)-7-(2-hydroxypropan-2-yl)-1-methyl-1-triethylsilyloxy-3,3a,4,5,8,8a-hexahydro-2H-azulen-4-ol
CID 166444494
(1E)-1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol
CID 9927372
(1S,2RS,5S,6S,7R)-2-hydroxy-3-methylene-6-[(E,3S)-3-t-butyldimethylsilyloxy-1-octenyl]-7-t-butyldimethylsilyloxybicyclo[3.3.0]octane
CID 13955240
(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 22850300
(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 22850301
(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 22850303
(3aS,4S,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-4-[butyl(dimethyl)silyl]oxy-4-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 22850336

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol (CID 71476229) is (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol is C=C(C)C[C@]1(O)[C@@H]2C=C[C@H]1C[C@H]2CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is NZXXYQYQRJXWLO-LISAXSMJSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-13(2)11-18(19)15-8-9-16(18)14(10-15)12-20-21(6,7)17(3,4)5/h8-9,14-16,19H,1,10-12H2,2-7H3/t14-,15-,16+,18+/m0/s1.
What are the key properties of (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol?
(1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 308.54 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,7R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(2-methylprop-2-enyl)bicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 71476229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).