tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane

C21H42O3Si — CID 58304851

IUPACtert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane
SMILESCCC[C@@H]1OC(C)(C)O[C@@H]1C(/C=C\CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-11-13-17-19(23-21(7,8)22-17)18(15-12-14-16(2)3)24-25(9,10)20(4,5)6/h12,15-19H,11,13-14H2,1-10H3/b15-12-/t17-,18?,19-/m0/s1
InChIKeyOFGOQYCJAKBRPS-QXMGCGOPSA-N
MW370.65 g/mol
LogP6.30
Rot. Bonds8

About tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane

tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane (PubChem CID 58304851) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane
PubChem CID58304851
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Nametert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane
SMILESCCC[C@@H]1OC(C)(C)O[C@@H]1C(/C=C\CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-11-13-17-19(23-21(7,8)22-17)18(15-12-14-16(2)3)24-25(9,10)20(4,5)6/h12,15-19H,11,13-14H2,1-10H3/b15-12-/t17-,18?,19-/m0/s1
InChIKeyOFGOQYCJAKBRPS-QXMGCGOPSA-N
XLogP6.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-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)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane (CID 58304851) is tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane is CCC[C@@H]1OC(C)(C)O[C@@H]1C(/C=C\CC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane?
The InChIKey is OFGOQYCJAKBRPS-QXMGCGOPSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-11-13-17-19(23-21(7,8)22-17)18(15-12-14-16(2)3)24-25(9,10)20(4,5)6/h12,15-19H,11,13-14H2,1-10H3/b15-12-/t17-,18?,19-/m0/s1.
What are the key properties of tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane?
tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane has a molecular weight of 370.65 g/mol, XLogP of 6.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane is sourced from PubChem (CID 58304851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).