tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane

C22H42OSi — CID 58924673

IUPACtert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane
SMILESCC1=C[C@H](/C(C)=C/CCC(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C22H42OSi/c1-17(2)11-10-12-19(4)21-15-18(3)13-14-20(21)16-23-24(8,9)22(5,6)7/h12,15,17,20-21H,10-11,13-14,16H2,1-9H3/b19-12+/t20-,21-/m1/s1
InChIKeyMWAPROHHVBZDTJ-XGXHACIMSA-N
MW350.66 g/mol
LogP7.36
Rot. Bonds7

About tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane

tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane (PubChem CID 58924673) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane
PubChem CID58924673
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Nametert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane
SMILESCC1=C[C@H](/C(C)=C/CCC(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C22H42OSi/c1-17(2)11-10-12-19(4)21-15-18(3)13-14-20(21)16-23-24(8,9)22(5,6)7/h12,15,17,20-21H,10-11,13-14,16H2,1-9H3/b19-12+/t20-,21-/m1/s1
InChIKeyMWAPROHHVBZDTJ-XGXHACIMSA-N
XLogP7.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.36
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-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane (CID 58924673) is tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane is CC1=C[C@H](/C(C)=C/CCC(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane?
The InChIKey is MWAPROHHVBZDTJ-XGXHACIMSA-N. The full InChI is InChI=1S/C22H42OSi/c1-17(2)11-10-12-19(4)21-15-18(3)13-14-20(21)16-23-24(8,9)22(5,6)7/h12,15,17,20-21H,10-11,13-14,16H2,1-9H3/b19-12+/t20-,21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane has a molecular weight of 350.66 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,2S)-4-methyl-2-[(E)-6-methylhept-2-en-2-yl]cyclohex-3-en-1-yl]methoxy]silane is sourced from PubChem (CID 58924673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).