[(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane

C25H44O2Si — CID 10938341

IUPAC[(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane
SMILESC=CCC[C@@](C)(O[Si](C)(C)C)[C@@H]1O[C@H](CC(=C)C)[C@H]2C(C)=CC[C@H](C(C)C)[C@H]21
InChIInChI=1S/C25H44O2Si/c1-11-12-15-25(7,27-28(8,9)10)24-23-20(18(4)5)14-13-19(6)22(23)21(26-24)16-17(2)3/h11,13,18,20-24H,1-2,12,14-16H2,3-10H3/t20-,21-,22-,23-,24-,25-/m1/s1
InChIKeyHYFWDGUMQXHFFN-VRVGQERDSA-N
MW404.71 g/mol
LogP7.15
Rot. Bonds9

About [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane

[(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane (PubChem CID 10938341) has the molecular formula C25H44O2Si and a molecular weight of 404.71 g/mol. Its IUPAC name is [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane
PubChem CID10938341
Molecular FormulaC25H44O2Si
Molecular Weight404.71 g/mol
Exact Mass404.31
IUPAC Name[(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane
SMILESC=CCC[C@@](C)(O[Si](C)(C)C)[C@@H]1O[C@H](CC(=C)C)[C@H]2C(C)=CC[C@H](C(C)C)[C@H]21
InChIInChI=1S/C25H44O2Si/c1-11-12-15-25(7,27-28(8,9)10)24-23-20(18(4)5)14-13-19(6)22(23)21(26-24)16-17(2)3/h11,13,18,20-24H,1-2,12,14-16H2,3-10H3/t20-,21-,22-,23-,24-,25-/m1/s1
InChIKeyHYFWDGUMQXHFFN-VRVGQERDSA-N
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.71
LogP ≤ 57.15
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'}

Analyze [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane
CID 101396453
[(1R,2R,5E,8R,9R,13R,14R,15R,16R,19E,22R,23R,27R,28R)-2,6,10,16,20,24-hexamethyl-13,27-di(propan-2-yl)-16-trimethylsilyloxy-29,30-dioxapentacyclo[20.6.1.18,15.09,14.023,28]triaconta-5,10,19,24-tetraen-2-yl]oxy-trimethylsilane
CID 5471921
[(E,1R)-4-ethyl-1-[(2S)-2-methyloxolan-2-yl]hex-4-enoxy]-trimethylsilane
CID 11087337
triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane
CID 11707014
trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane
CID 11728178
trimethyl-[(2R)-2-[(2R,5S)-5-(2-methylprop-2-enyl)oxolan-2-yl]hex-5-en-2-yl]oxysilane
CID 12112891
tert-butyl-dimethyl-[[(1R,2R,6R,7R,8R,9S,12Z)-13-methyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-yl]oxy]silane
CID 16007269
[(1R,2R,5E,8R,9R,13R,14R,15R,16R,22R,23R,27R,28R)-2,6,10,16,20,24-hexamethyl-13,27-di(propan-2-yl)-16-trimethylsilyloxy-29,30-dioxapentacyclo[20.6.1.18,15.09,14.023,28]triaconta-5,10,19,24-tetraen-2-yl]oxy-trimethylsilane
CID 22525141
tert-butyl-[[(1R,6S,7R,8R,9S,12E)-3-ethoxy-13-methyl-6-prop-1-en-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-2,12-dien-9-yl]oxy]-dimethylsilane
CID 71528534
[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-trimethylsilane
CID 101396452
[(2S)-2-[(1S,3S,3aS,7S,7aS)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane
CID 102096408
trimethyl-[[(1S,2S,6S,7S,8S,9S,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane
CID 102096409

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane (CID 10938341) is [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane is C=CCC[C@@](C)(O[Si](C)(C)C)[C@@H]1O[C@H](CC(=C)C)[C@H]2C(C)=CC[C@H](C(C)C)[C@H]21.
What is the InChIKey of [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane?
The InChIKey is HYFWDGUMQXHFFN-VRVGQERDSA-N. The full InChI is InChI=1S/C25H44O2Si/c1-11-12-15-25(7,27-28(8,9)10)24-23-20(18(4)5)14-13-19(6)22(23)21(26-24)16-17(2)3/h11,13,18,20-24H,1-2,12,14-16H2,3-10H3/t20-,21-,22-,23-,24-,25-/m1/s1.
What are the key properties of [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane?
[(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane has a molecular weight of 404.71 g/mol, XLogP of 7.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10938341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).