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

C12H24O3Si — CID 10681766

IUPAC(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol
SMILESC=C(C[C@H](O)[C@H]1COC(C)(C)O1)[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(16(4,5)6)7-10(13)11-8-14-12(2,3)15-11/h10-11,13H,1,7-8H2,2-6H3/t10-,11+/m0/s1
InChIKeyKCIABBQYTSGMOF-WDEREUQCSA-N
MW244.41 g/mol
LogP2.32
Rot. Bonds4

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

(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol (PubChem CID 10681766) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol
PubChem CID10681766
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol
SMILESC=C(C[C@H](O)[C@H]1COC(C)(C)O1)[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(16(4,5)6)7-10(13)11-8-14-12(2,3)15-11/h10-11,13H,1,7-8H2,2-6H3/t10-,11+/m0/s1
InChIKeyKCIABBQYTSGMOF-WDEREUQCSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

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

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Related Compounds

(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11321231
2,2-Dimethyl-alpha-2-propenyl-1,3-dioxolane-4-methanol
CID 12641532
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10607289
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10920969
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11229054
[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 12190813
(5-Allyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 21061831
1-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-YL]-3-buten-1-OL
CID 11159589
(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 12641533
1-(2-Methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol
CID 14295006
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)but-3-en-1-ol
CID 134856138
[(4R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 134866120

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol?
The IUPAC name of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol (CID 10681766) is (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol.
What is the SMILES notation for (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol?
The canonical SMILES for (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-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 (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol?
The InChIKey is KCIABBQYTSGMOF-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(16(4,5)6)7-10(13)11-8-14-12(2,3)15-11/h10-11,13H,1,7-8H2,2-6H3/t10-,11+/m0/s1.
What are the key properties of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol?
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol has a molecular weight of 244.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol is sourced from PubChem (CID 10681766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).