(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol

C19H36O2Si — CID 139255317

IUPAC(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol
SMILESC=CCC[C@]1(O)C=CCCC[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-8-14-19(20)15-11-9-10-12-17(19)13-16-21-22(5,6)18(2,3)4/h7,11,15,17,20H,1,8-10,12-14,16H2,2-6H3/t17-,19-/m0/s1
InChIKeyDZFXMOKAHVSCFW-HKUYNNGSSA-N
MW324.58 g/mol
LogP5.45
Rot. Bonds7

About (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol

(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol (PubChem CID 139255317) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol.

Molecular Properties

Compound Name(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol
PubChem CID139255317
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol
SMILESC=CCC[C@]1(O)C=CCCC[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-8-14-19(20)15-11-9-10-12-17(19)13-16-21-22(5,6)18(2,3)4/h7,11,15,17,20H,1,8-10,12-14,16H2,2-6H3/t17-,19-/m0/s1
InChIKeyDZFXMOKAHVSCFW-HKUYNNGSSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.45
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,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 11759563
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
trans-(1R,2R)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 101029064
(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol
CID 134865794
trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134931231
(3aR,9aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,9a-octahydrocyclopenta[8]annulen-3a-ol
CID 138968865
(3aR,13aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3a-ol
CID 138968866
(3aR,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4,5,6,7,8,8a-hexahydro-1H-azulen-3a-ol
CID 138971034
(1E,3Z,5R,6R,7R)-6-hydroxy-4,5-dimethyl-7-phenylocta-1,3-dien-1-yl dimethylcarbamate
CID 145997834

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol?
The IUPAC name of (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol (CID 139255317) is (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol.
What is the SMILES notation for (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol?
The canonical SMILES for (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol is C=CCC[C@]1(O)C=CCCC[C@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol?
The InChIKey is DZFXMOKAHVSCFW-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-7-8-14-19(20)15-11-9-10-12-17(19)13-16-21-22(5,6)18(2,3)4/h7,11,15,17,20H,1,8-10,12-14,16H2,2-6H3/t17-,19-/m0/s1.
What are the key properties of (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol?
(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol has a molecular weight of 324.58 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol is sourced from PubChem (CID 139255317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).