[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate

C18H36O3Si — CID 71504119

IUPAC[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate
SMILESC=CC[C@@H](CCCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-10-12-15(21-22(8,9)18(5,6)7)13-11-14-20-16(19)17(2,3)4/h10,15H,1,11-14H2,2-9H3/t15-/m0/s1
InChIKeyVDGWYTSUWFNTRD-HNNXBMFYSA-N
MW328.57 g/mol
LogP5.32
Rot. Bonds8

About [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate

[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate (PubChem CID 71504119) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate
PubChem CID71504119
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate
SMILESC=CC[C@@H](CCCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-10-12-15(21-22(8,9)18(5,6)7)13-11-14-20-16(19)17(2,3)4/h10,15H,1,11-14H2,2-9H3/t15-/m0/s1
InChIKeyVDGWYTSUWFNTRD-HNNXBMFYSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate 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

Methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate
CID 15214222
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
CID 53304622
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
CID 53343505
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501
(6R)-6-(Tert-butyldimethylsilyloxy)-8-pivaloyloxy-2-methyloct-2-ene
CID 101618229
7-[Tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate
CID 139889078
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 140738641
[4-[Tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 173579927
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate
CID 10734930
[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-enyl] 2,2-dimethylpropanoate
CID 10767662
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
CID 10875838

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate (CID 71504119) is [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate is C=CC[C@@H](CCCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate?
The InChIKey is VDGWYTSUWFNTRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-10-12-15(21-22(8,9)18(5,6)7)13-11-14-20-16(19)17(2,3)4/h10,15H,1,11-14H2,2-9H3/t15-/m0/s1.
What are the key properties of [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate?
[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate has a molecular weight of 328.57 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 71504119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).