[(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane

C14H28O3Si — CID 11022044

IUPAC[(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane
SMILESCO[C@@H](C[C@@H]1COC(C)(C)O1)/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-11(10-18(5,6)7)13(15-4)8-12-9-16-14(2,3)17-12/h10,12-13H,8-9H2,1-7H3/b11-10+/t12-,13+/m1/s1
InChIKeyXAUKUNGIWCPOPV-NQYVGZPUSA-N
MW272.46 g/mol
LogP3.37
Rot. Bonds5

About [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane

[(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane (PubChem CID 11022044) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane
PubChem CID11022044
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane
SMILESCO[C@@H](C[C@@H]1COC(C)(C)O1)/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-11(10-18(5,6)7)13(15-4)8-12-9-16-14(2,3)17-12/h10,12-13H,8-9H2,1-7H3/b11-10+/t12-,13+/m1/s1
InChIKeyXAUKUNGIWCPOPV-NQYVGZPUSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane 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 [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane?
The IUPAC name of [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane (CID 11022044) is [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane?
The canonical SMILES for [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane is CO[C@@H](C[C@@H]1COC(C)(C)O1)/C(C)=C/[Si](C)(C)C.
What is the InChIKey of [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane?
The InChIKey is XAUKUNGIWCPOPV-NQYVGZPUSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-11(10-18(5,6)7)13(15-4)8-12-9-16-14(2,3)17-12/h10,12-13H,8-9H2,1-7H3/b11-10+/t12-,13+/m1/s1.
What are the key properties of [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane?
[(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane has a molecular weight of 272.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2-methylbut-1-enyl]-trimethylsilane is sourced from PubChem (CID 11022044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).