8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C15H28O3Si — CID 177488499

IUPAC8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESC=CC(C[Si](C)(C)C)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C15H28O3Si/c1-5-13(12-19(2,3)4)14(16)6-8-15(9-7-14)17-10-11-18-15/h5,13,16H,1,6-12H2,2-4H3
InChIKeyQYIWZJKKRQJMSJ-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.17
Rot. Bonds4

About 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 177488499) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID177488499
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESC=CC(C[Si](C)(C)C)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C15H28O3Si/c1-5-13(12-19(2,3)4)14(16)6-8-15(9-7-14)17-10-11-18-15/h5,13,16H,1,6-12H2,2-4H3
InChIKeyQYIWZJKKRQJMSJ-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

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Related Compounds

4-(1-trimethylsilylbut-3-en-2-yl)oxan-4-ol
CID 177385840
1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine
CID 68990663
8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 11593711
2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutanoic acid
CID 66039558
ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931263
ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutanoate
CID 66038836
2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
CID 66037412
8-(methylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 165465927
8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 130067842
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
CID 151473274
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
CID 12568263
ethyl 2-(3-ethenyl-7,12-dioxaspiro[5.6]dodecan-3-yl)acetate
CID 16680748

Frequently Asked Questions

What is the IUPAC name of 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 177488499) is 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is C=CC(C[Si](C)(C)C)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is QYIWZJKKRQJMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-5-13(12-19(2,3)4)14(16)6-8-15(9-7-14)17-10-11-18-15/h5,13,16H,1,6-12H2,2-4H3.
What are the key properties of 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 284.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 177488499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).