methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate

C18H32O5Si — CID 14924829

IUPACmethyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(O)CCCC=C1O[C@H]1CCCCC[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C18H32O5Si/c1-21-17(19)18(20)13-9-8-12-16(18)22-14-10-6-5-7-11-15(14)23-24(2,3)4/h12,14-15,20H,5-11,13H2,1-4H3/t14-,15-,18-/m0/s1
InChIKeyQSTYSPCRAAPVAK-MPGHIAIKSA-N
MW356.54 g/mol
LogP3.53
Rot. Bonds5

About methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate

methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate (PubChem CID 14924829) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate
PubChem CID14924829
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Namemethyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(O)CCCC=C1O[C@H]1CCCCC[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C18H32O5Si/c1-21-17(19)18(20)13-9-8-12-16(18)22-14-10-6-5-7-11-15(14)23-24(2,3)4/h12,14-15,20H,5-11,13H2,1-4H3/t14-,15-,18-/m0/s1
InChIKeyQSTYSPCRAAPVAK-MPGHIAIKSA-N
XLogP3.53
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate?
The IUPAC name of methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate (CID 14924829) is methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate?
The canonical SMILES for methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate is COC(=O)[C@]1(O)CCCC=C1O[C@H]1CCCCC[C@@H]1O[Si](C)(C)C.
What is the InChIKey of methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate?
The InChIKey is QSTYSPCRAAPVAK-MPGHIAIKSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-21-17(19)18(20)13-9-8-12-16(18)22-14-10-6-5-7-11-15(14)23-24(2,3)4/h12,14-15,20H,5-11,13H2,1-4H3/t14-,15-,18-/m0/s1.
What are the key properties of methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate?
methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate has a molecular weight of 356.54 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1-hydroxy-2-[(1S,2S)-2-trimethylsilyloxycycloheptyl]oxycyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 14924829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).