[(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane

C20H38OSi — CID 10734653

IUPAC[(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane
SMILESC=CCC(C)(C)C[C@H]1[C@H](C)CC[C@@]1(CC(=C)C)O[Si](C)(C)C
InChIInChI=1S/C20H38OSi/c1-10-12-19(5,6)15-18-17(4)11-13-20(18,14-16(2)3)21-22(7,8)9/h10,17-18H,1-2,11-15H2,3-9H3/t17-,18+,20+/m1/s1
InChIKeyYLCVLBHRGYPGER-HBFSDRIKSA-N
MW322.61 g/mol
LogP6.58
Rot. Bonds8

About [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane

[(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane (PubChem CID 10734653) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane
PubChem CID10734653
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name[(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane
SMILESC=CCC(C)(C)C[C@H]1[C@H](C)CC[C@@]1(CC(=C)C)O[Si](C)(C)C
InChIInChI=1S/C20H38OSi/c1-10-12-19(5,6)15-18-17(4)11-13-20(18,14-16(2)3)21-22(7,8)9/h10,17-18H,1-2,11-15H2,3-9H3/t17-,18+,20+/m1/s1
InChIKeyYLCVLBHRGYPGER-HBFSDRIKSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentan-1-ol
CID 10753211
[(1R,2R,3S)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentyl]oxy-trimethylsilane
CID 49818552
[(1S,3aR,5E,9aR)-1,8,8-trimethyl-3a-trimethylsilyloxy-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-5-yl]methyl-trimethylsilane
CID 49818553
Tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane
CID 134972664
[(3R,3aR,8aS)-3-ethenyl-5,5-dimethyl-1,2,3,4,6,8a-hexahydroazulen-3a-yl]oxy-tert-butyl-dimethylsilane
CID 134972665
[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020044
[(1S,2R,5S)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020085
[(1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020086
tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
CID 59678391
[(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane
CID 10685252
[(1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane
CID 10756251
[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclopentyl]oxy-trimethylsilane
CID 10777104

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane?
The IUPAC name of [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane (CID 10734653) is [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane is C=CCC(C)(C)C[C@H]1[C@H](C)CC[C@@]1(CC(=C)C)O[Si](C)(C)C.
What is the InChIKey of [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane?
The InChIKey is YLCVLBHRGYPGER-HBFSDRIKSA-N. The full InChI is InChI=1S/C20H38OSi/c1-10-12-19(5,6)15-18-17(4)11-13-20(18,14-16(2)3)21-22(7,8)9/h10,17-18H,1-2,11-15H2,3-9H3/t17-,18+,20+/m1/s1.
What are the key properties of [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane?
[(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane has a molecular weight of 322.61 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 10734653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).