tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane

C22H42O2Si — CID 45101636

IUPACtert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane
SMILESCO/C=C/C[C@H]1C(=C(C)C)CC[C@H](C)[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-17(2)19-14-13-18(3)22(7,20(19)12-11-15-23-8)16-24-25(9,10)21(4,5)6/h11,15,18,20H,12-14,16H2,1-10H3/b15-11+/t18-,20-,22-/m0/s1
InChIKeyMMZXGFAGBIROJG-XEHMEICKSA-N
MW366.66 g/mol
LogP6.95
Rot. Bonds6

About tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane (PubChem CID 45101636) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane
PubChem CID45101636
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Nametert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane
SMILESCO/C=C/C[C@H]1C(=C(C)C)CC[C@H](C)[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-17(2)19-14-13-18(3)22(7,20(19)12-11-15-23-8)16-24-25(9,10)21(4,5)6/h11,15,18,20H,12-14,16H2,1-10H3/b15-11+/t18-,20-,22-/m0/s1
InChIKeyMMZXGFAGBIROJG-XEHMEICKSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane (CID 45101636) is tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane is CO/C=C/C[C@H]1C(=C(C)C)CC[C@H](C)[C@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane?
The InChIKey is MMZXGFAGBIROJG-XEHMEICKSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-17(2)19-14-13-18(3)22(7,20(19)12-11-15-23-8)16-24-25(9,10)21(4,5)6/h11,15,18,20H,12-14,16H2,1-10H3/b15-11+/t18-,20-,22-/m0/s1.
What are the key properties of tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane has a molecular weight of 366.66 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane is sourced from PubChem (CID 45101636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).