(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one

C19H36O3Si — CID 10315232

IUPAC(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one
SMILESC=C[C@H]1[C@@H]([C@H](O)CC(=O)CCCO[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C19H36O3Si/c1-9-15-17(19(15,5)6)16(21)13-14(20)11-10-12-22-23(7,8)18(2,3)4/h9,15-17,21H,1,10-13H2,2-8H3/t15-,16+,17-/m0/s1
InChIKeyWACKDWRLTYIFSM-BBWFWOEESA-N
MW340.58 g/mol
LogP4.57
Rot. Bonds9

About (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one

(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one (PubChem CID 10315232) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one.

Molecular Properties

Compound Name(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one
PubChem CID10315232
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one
SMILESC=C[C@H]1[C@@H]([C@H](O)CC(=O)CCCO[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C19H36O3Si/c1-9-15-17(19(15,5)6)16(21)13-14(20)11-10-12-22-23(7,8)18(2,3)4/h9,15-17,21H,1,10-13H2,2-8H3/t15-,16+,17-/m0/s1
InChIKeyWACKDWRLTYIFSM-BBWFWOEESA-N
XLogP4.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one?
The IUPAC name of (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one (CID 10315232) is (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one.
What is the SMILES notation for (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one?
The canonical SMILES for (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one is C=C[C@H]1[C@@H]([C@H](O)CC(=O)CCCO[Si](C)(C)C(C)(C)C)C1(C)C.
What is the InChIKey of (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one?
The InChIKey is WACKDWRLTYIFSM-BBWFWOEESA-N. The full InChI is InChI=1S/C19H36O3Si/c1-9-15-17(19(15,5)6)16(21)13-14(20)11-10-12-22-23(7,8)18(2,3)4/h9,15-17,21H,1,10-13H2,2-8H3/t15-,16+,17-/m0/s1.
What are the key properties of (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one?
(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one has a molecular weight of 340.58 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,3S)-3-ethenyl-2,2-dimethylcyclopropyl]-1-hydroxyhexan-3-one is sourced from PubChem (CID 10315232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).