tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate

C19H34O4Si — CID 10893614

IUPACtert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate
SMILESC=C1/C(=C/C(=O)OC(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O
InChIInChI=1S/C19H34O4Si/c1-13-14(11-17(21)22-18(2,3)4)10-15(12-16(13)20)23-24(8,9)19(5,6)7/h11,15-16,20H,1,10,12H2,2-9H3/b14-11+/t15-,16-/m1/s1
InChIKeyASSPOVFGYSESIW-GSEJNISDSA-N
MW354.56 g/mol
LogP4.36
Rot. Bonds3

About tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate

tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate (PubChem CID 10893614) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate.

Molecular Properties

Compound Nametert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate
PubChem CID10893614
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Nametert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate
SMILESC=C1/C(=C/C(=O)OC(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O
InChIInChI=1S/C19H34O4Si/c1-13-14(11-17(21)22-18(2,3)4)10-15(12-16(13)20)23-24(8,9)19(5,6)7/h11,15-16,20H,1,10,12H2,2-9H3/b14-11+/t15-,16-/m1/s1
InChIKeyASSPOVFGYSESIW-GSEJNISDSA-N
XLogP4.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]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 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 9823928
ethyl (2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]acetate
CID 10983057
Ethyl (E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)acetate
CID 11080703
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 101659341
Z-(3S,5R)-[3,5-bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohexylidene]-acetic acid methyl ester
CID 10071149
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]acetate
CID 10622375
Ethyl (E)-2-((3S,5R)-5-((tert-butyldimethylsilyl)oxy)-3-hydroxy-2-methylenecyclohexylidene)acetate
CID 10871111
E-(3S,5R)-[3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylenecyclohexylidene]acetic acid methyl ester
CID 14524037
[(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate
CID 15755096
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]acetic acid
CID 18667135
[(2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate
CID 20714763
[(2Z)-2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethyl] acetate
CID 21967611

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate?
The IUPAC name of tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate (CID 10893614) is tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate.
What is the SMILES notation for tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate?
The canonical SMILES for tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate is C=C1/C(=C/C(=O)OC(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O.
What is the InChIKey of tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate?
The InChIKey is ASSPOVFGYSESIW-GSEJNISDSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-13-14(11-17(21)22-18(2,3)4)10-15(12-16(13)20)23-24(8,9)19(5,6)7/h11,15-16,20H,1,10,12H2,2-9H3/b14-11+/t15-,16-/m1/s1.
What are the key properties of tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate?
tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate has a molecular weight of 354.56 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E)-2-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexylidene]acetate is sourced from PubChem (CID 10893614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).