1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol

C12H22O3Si — CID 14295006

IUPAC1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol
SMILESC=C=C(C(O)CC1(C)OCCO1)[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-6-11(16(3,4)5)10(13)9-12(2)14-7-8-15-12/h10,13H,1,7-9H2,2-5H3
InChIKeyVJRQDLOCCXIQKX-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.09
Rot. Bonds4

About 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol

1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol (PubChem CID 14295006) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol.

Molecular Properties

Compound Name1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol
PubChem CID14295006
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol
SMILESC=C=C(C(O)CC1(C)OCCO1)[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-6-11(16(3,4)5)10(13)9-12(2)14-7-8-15-12/h10,13H,1,7-9H2,2-5H3
InChIKeyVJRQDLOCCXIQKX-UHFFFAOYSA-N
XLogP2.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylprop-2-en-1-ol
CID 11218483
(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-trimethylsilylbut-3-en-1-ol
CID 10681766
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylbut-3-en-1-ol
CID 10776720
(1S,4'R)-1-(2,2-dimethyl-1,3-dioxolane-4-yl)-2-trimethylsilylprop-2-en-1-ol
CID 13539171
(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylhept-2-en-1-ol
CID 21729073
(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylhept-2-en-1-ol
CID 21729129

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol?
The IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol (CID 14295006) is 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol.
What is the SMILES notation for 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol?
The canonical SMILES for 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol is C=C=C(C(O)CC1(C)OCCO1)[Si](C)(C)C.
What is the InChIKey of 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol?
The InChIKey is VJRQDLOCCXIQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-6-11(16(3,4)5)10(13)9-12(2)14-7-8-15-12/h10,13H,1,7-9H2,2-5H3.
What are the key properties of 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol?
1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol has a molecular weight of 242.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilylpenta-3,4-dien-2-ol is sourced from PubChem (CID 14295006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).