(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol

C12H24O3Si — CID 11021143

IUPAC(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol
SMILESC/C=C(\[C@@H](O)[C@H]1COC(C)(C)O1)[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-10(16(4,5)6)11(13)9-8-14-12(2,3)15-9/h7,9,11,13H,8H2,1-6H3/b10-7+/t9-,11+/m1/s1
InChIKeyGZFGMFXGLANGLG-LCIINNLCSA-N
MW244.41 g/mol
LogP2.32
Rot. Bonds3

About (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol

(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol (PubChem CID 11021143) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol
PubChem CID11021143
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol
SMILESC/C=C(\[C@@H](O)[C@H]1COC(C)(C)O1)[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-10(16(4,5)6)11(13)9-8-14-12(2,3)15-9/h7,9,11,13H,8H2,1-6H3/b10-7+/t9-,11+/m1/s1
InChIKeyGZFGMFXGLANGLG-LCIINNLCSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2E,4E,6E)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-2,4,6,8-tetraen-1-ol
CID 11390722
(1S,2Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]penta-2,4-dien-1-ol
CID 25099066
(1R,2Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]penta-2,4-dien-1-ol
CID 102412241
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylprop-2-en-1-ol
CID 11218483
(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11779714
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylprop-2-en-1-ol
CID 13539172
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2-trimethylsilylbut-2-en-1-ol
CID 21729074
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol
CID 21729075
(Z,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 21729076
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2-trimethylsilylbut-2-en-1-ol
CID 21729130
(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 59100012
(E,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 59100052

Frequently Asked Questions

What is the IUPAC name of (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol?
The IUPAC name of (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol (CID 11021143) is (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol?
The canonical SMILES for (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol is C/C=C(\[C@@H](O)[C@H]1COC(C)(C)O1)[Si](C)(C)C.
What is the InChIKey of (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol?
The InChIKey is GZFGMFXGLANGLG-LCIINNLCSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-10(16(4,5)6)11(13)9-8-14-12(2,3)15-9/h7,9,11,13H,8H2,1-6H3/b10-7+/t9-,11+/m1/s1.
What are the key properties of (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol?
(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol has a molecular weight of 244.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylbut-2-en-1-ol is sourced from PubChem (CID 11021143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).