[(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane

C16H30O3Si — CID 99771618

IUPAC[(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane
SMILESCC1(CC[C@H]2C=C(O[Si](C)(C)C)CC2(C)C)OCCO1
InChIInChI=1S/C16H30O3Si/c1-15(2)12-14(19-20(4,5)6)11-13(15)7-8-16(3)17-9-10-18-16/h11,13H,7-10,12H2,1-6H3/t13-/m0/s1
InChIKeyNWMHZMWKRYOLDH-ZDUSSCGKSA-N
MW298.50 g/mol
LogP4.31
Rot. Bonds5

About [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane

[(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane (PubChem CID 99771618) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane
PubChem CID99771618
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane
SMILESCC1(CC[C@H]2C=C(O[Si](C)(C)C)CC2(C)C)OCCO1
InChIInChI=1S/C16H30O3Si/c1-15(2)12-14(19-20(4,5)6)11-13(15)7-8-16(3)17-9-10-18-16/h11,13H,7-10,12H2,1-6H3/t13-/m0/s1
InChIKeyNWMHZMWKRYOLDH-ZDUSSCGKSA-N
XLogP4.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane (CID 99771618) is [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane is CC1(CC[C@H]2C=C(O[Si](C)(C)C)CC2(C)C)OCCO1.
What is the InChIKey of [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane?
The InChIKey is NWMHZMWKRYOLDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-15(2)12-14(19-20(4,5)6)11-13(15)7-8-16(3)17-9-10-18-16/h11,13H,7-10,12H2,1-6H3/t13-/m0/s1.
What are the key properties of [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane?
[(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane has a molecular weight of 298.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 99771618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).