[(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate

C15H30O3Si — CID 11414961

IUPAC[(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate
SMILESC=CCC(C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C15H30O3Si/c1-9-10-14(17-13(3)16)11-12(2)18-19(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14?/m1/s1
InChIKeyPIMQSPNHWHHMCA-PUODRLBUSA-N
MW286.49 g/mol
LogP4.29
Rot. Bonds7

About [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate

[(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate (PubChem CID 11414961) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate.

Molecular Properties

Compound Name[(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate
PubChem CID11414961
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate
SMILESC=CCC(C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C15H30O3Si/c1-9-10-14(17-13(3)16)11-12(2)18-19(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14?/m1/s1
InChIKeyPIMQSPNHWHHMCA-PUODRLBUSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-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

Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 10901749
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one
CID 11623556
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
CID 53343505
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-yl] prop-2-enoate
CID 138976584
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl] prop-2-enoate
CID 145945198

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate?
The IUPAC name of [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate (CID 11414961) is [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate.
What is the SMILES notation for [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate?
The canonical SMILES for [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate is C=CCC(C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate?
The InChIKey is PIMQSPNHWHHMCA-PUODRLBUSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-10-14(17-13(3)16)11-12(2)18-19(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14?/m1/s1.
What are the key properties of [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate?
[(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate has a molecular weight of 286.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate is sourced from PubChem (CID 11414961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).