[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane

C14H24O3Si — CID 101178884

IUPAC[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
SMILESC=CCO[C@H](C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O3Si/c1-7-9-15-12(8-10-18(4,5)6)13-11-16-14(2,3)17-13/h7,12-13H,1,9,11H2,2-6H3/t12-,13-/m1/s1
InChIKeyMJNADMFGNIUIKO-CHWSQXEVSA-N
MW268.43 g/mol
LogP2.59
Rot. Bonds4

About [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane

[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane (PubChem CID 101178884) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
PubChem CID101178884
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
SMILESC=CCO[C@H](C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O3Si/c1-7-9-15-12(8-10-18(4,5)6)13-11-16-14(2,3)17-13/h7,12-13H,1,9,11H2,2-6H3/t12-,13-/m1/s1
InChIKeyMJNADMFGNIUIKO-CHWSQXEVSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.59
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane?
The IUPAC name of [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane (CID 101178884) is [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane is C=CCO[C@H](C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane?
The InChIKey is MJNADMFGNIUIKO-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-7-9-15-12(8-10-18(4,5)6)13-11-16-14(2,3)17-13/h7,12-13H,1,9,11H2,2-6H3/t12-,13-/m1/s1.
What are the key properties of [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane?
[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane has a molecular weight of 268.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane is sourced from PubChem (CID 101178884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).