[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate

C27H46O5Si — CID 25111073

IUPAC[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate
SMILESCC(=O)O[C@@H](C#CC[C@H](C=C(C)C)O[Si](C)(C)C(C)(C)C)C[C@]1(C)COC2(CCCCC2)O1
InChIInChI=1S/C27H46O5Si/c1-21(2)18-23(31-33(8,9)25(4,5)6)14-13-15-24(30-22(3)28)19-26(7)20-29-27(32-26)16-11-10-12-17-27/h18,23-24H,10-12,14,16-17,19-20H2,1-9H3/t23-,24+,26-/m1/s1
InChIKeyBZAIOLIKTSOAFE-RMTZWNOUSA-N
MW478.75 g/mol
LogP6.52
Rot. Bonds7

About [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate

[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate (PubChem CID 25111073) has the molecular formula C27H46O5Si and a molecular weight of 478.75 g/mol. Its IUPAC name is [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate.

Molecular Properties

Compound Name[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate
PubChem CID25111073
Molecular FormulaC27H46O5Si
Molecular Weight478.75 g/mol
Exact Mass478.31
IUPAC Name[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate
SMILESCC(=O)O[C@@H](C#CC[C@H](C=C(C)C)O[Si](C)(C)C(C)(C)C)C[C@]1(C)COC2(CCCCC2)O1
InChIInChI=1S/C27H46O5Si/c1-21(2)18-23(31-33(8,9)25(4,5)6)14-13-15-24(30-22(3)28)19-26(7)20-29-27(32-26)16-11-10-12-17-27/h18,23-24H,10-12,14,16-17,19-20H2,1-9H3/t23-,24+,26-/m1/s1
InChIKeyBZAIOLIKTSOAFE-RMTZWNOUSA-N
XLogP6.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-13-methylidene-11-tri(propan-2-yl)silyloxy-6,21-dioxabicyclo[15.3.1]henicosa-9,19-dien-3-yn-5-one
CID 90844101
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 10981936
[(E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hex-4-enyl] 2,2-dimethylpropanoate
CID 11408110
(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol
CID 25111071
(2S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol
CID 25111072

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate?
The IUPAC name of [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate (CID 25111073) is [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate.
What is the SMILES notation for [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate?
The canonical SMILES for [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate is CC(=O)O[C@@H](C#CC[C@H](C=C(C)C)O[Si](C)(C)C(C)(C)C)C[C@]1(C)COC2(CCCCC2)O1.
What is the InChIKey of [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate?
The InChIKey is BZAIOLIKTSOAFE-RMTZWNOUSA-N. The full InChI is InChI=1S/C27H46O5Si/c1-21(2)18-23(31-33(8,9)25(4,5)6)14-13-15-24(30-22(3)28)19-26(7)20-29-27(32-26)16-11-10-12-17-27/h18,23-24H,10-12,14,16-17,19-20H2,1-9H3/t23-,24+,26-/m1/s1.
What are the key properties of [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate?
[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate has a molecular weight of 478.75 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate is sourced from PubChem (CID 25111073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).