trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate

C19H32O4Si — CID 23643175

IUPACtrimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate
SMILESC=CCC(C(=O)O[Si](C)(C)C)C1(C(=C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C19H32O4Si/c1-7-8-16(17(20)23-24(4,5)6)18(15(2)3)9-11-19(12-10-18)21-13-14-22-19/h7,16H,1-2,8-14H2,3-6H3
InChIKeyRUOACODGIHIHGW-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.44
Rot. Bonds6

About trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate

trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate (PubChem CID 23643175) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate.

Molecular Properties

Compound Nametrimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate
PubChem CID23643175
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Nametrimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate
SMILESC=CCC(C(=O)O[Si](C)(C)C)C1(C(=C)C)CCC2(CC1)OCCO2
InChIInChI=1S/C19H32O4Si/c1-7-8-16(17(20)23-24(4,5)6)18(15(2)3)9-11-19(12-10-18)21-13-14-22-19/h7,16H,1-2,8-14H2,3-6H3
InChIKeyRUOACODGIHIHGW-UHFFFAOYSA-N
XLogP4.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(1R,4S,5R)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-2-en-1-yl]acetate
CID 10874099
8-(1,4-Dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one
CID 123882312
methyl (2R)-2-[(1'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]-1'-yl]-6-methylhept-5-enoate
CID 10970114
CID 23253826
CID 23253826
CID 23253827
CID 23253827
1-[(1S,2S)-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylidenecyclohexyl]ethanone
CID 49857848

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate?
The IUPAC name of trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate (CID 23643175) is trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate.
What is the SMILES notation for trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate?
The canonical SMILES for trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate is C=CCC(C(=O)O[Si](C)(C)C)C1(C(=C)C)CCC2(CC1)OCCO2.
What is the InChIKey of trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate?
The InChIKey is RUOACODGIHIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-7-8-16(17(20)23-24(4,5)6)18(15(2)3)9-11-19(12-10-18)21-13-14-22-19/h7,16H,1-2,8-14H2,3-6H3.
What are the key properties of trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate?
trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate has a molecular weight of 352.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)pent-4-enoate is sourced from PubChem (CID 23643175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).