tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane

C19H38OSi — CID 59678399

IUPACtert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
SMILESC/C(=C1\C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-13-12-16(15(3)18(4,5)6)14(2)17(13)20-21(10,11)19(7,8)9/h13-14,17H,12H2,1-11H3/b16-15-/t13-,14-,17-/m0/s1
InChIKeyPSSADPBBWAPXIE-PPXROALBSA-N
MW310.60 g/mol
LogP6.42
Rot. Bonds2

About tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane

tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane (PubChem CID 59678399) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
PubChem CID59678399
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Nametert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
SMILESC/C(=C1\C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-13-12-16(15(3)18(4,5)6)14(2)17(13)20-21(10,11)19(7,8)9/h13-14,17H,12H2,1-11H3/b16-15-/t13-,14-,17-/m0/s1
InChIKeyPSSADPBBWAPXIE-PPXROALBSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.42
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane (CID 59678399) is tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane is C/C(=C1\C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane?
The InChIKey is PSSADPBBWAPXIE-PPXROALBSA-N. The full InChI is InChI=1S/C19H38OSi/c1-13-12-16(15(3)18(4,5)6)14(2)17(13)20-21(10,11)19(7,8)9/h13-14,17H,12H2,1-11H3/b16-15-/t13-,14-,17-/m0/s1.
What are the key properties of tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane has a molecular weight of 310.60 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 59678399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).