tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane

C34H66O2Si3 — CID 156686193

IUPACtert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](C/C=C\[C@H]1C[C@H]1C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C
InChIInChI=1S/C34H66O2Si3/c1-18-20-31(36-38(16,17)33(8,9)10)34(11,12)32(35-37(13,14)15)22-19-21-29-25-30(29)23-24-39(26(2)3,27(4)5)28(6)7/h18-21,26-32H,22,25H2,1-17H3/b20-18+,21-19-/t29-,30+,31-,32-/m0/s1
InChIKeyFLZFSISGERQLKH-DLMKVXELSA-N
MW591.16 g/mol
LogP11.00
Rot. Bonds13

About tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane

tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane (PubChem CID 156686193) has the molecular formula C34H66O2Si3 and a molecular weight of 591.16 g/mol. Its IUPAC name is tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane
PubChem CID156686193
Molecular FormulaC34H66O2Si3
Molecular Weight591.16 g/mol
Exact Mass590.44
IUPAC Nametert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](C/C=C\[C@H]1C[C@H]1C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C
InChIInChI=1S/C34H66O2Si3/c1-18-20-31(36-38(16,17)33(8,9)10)34(11,12)32(35-37(13,14)15)22-19-21-29-25-30(29)23-24-39(26(2)3,27(4)5)28(6)7/h18-21,26-32H,22,25H2,1-17H3/b20-18+,21-19-/t29-,30+,31-,32-/m0/s1
InChIKeyFLZFSISGERQLKH-DLMKVXELSA-N
XLogP11.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.16
LogP ≤ 511.00
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-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-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane (CID 156686193) is tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H](C/C=C\[C@H]1C[C@H]1C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane?
The InChIKey is FLZFSISGERQLKH-DLMKVXELSA-N. The full InChI is InChI=1S/C34H66O2Si3/c1-18-20-31(36-38(16,17)33(8,9)10)34(11,12)32(35-37(13,14)15)22-19-21-29-25-30(29)23-24-39(26(2)3,27(4)5)28(6)7/h18-21,26-32H,22,25H2,1-17H3/b20-18+,21-19-/t29-,30+,31-,32-/m0/s1.
What are the key properties of tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane?
tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane has a molecular weight of 591.16 g/mol, XLogP of 11.00, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxy-6-[(1R,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropyl]hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 156686193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).