methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate

C19H34O4Si — CID 11187370

IUPACmethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate
SMILESC=C(C)[C@@H]1C[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)C(=C)[C@@H](O)C1
InChIInChI=1S/C19H34O4Si/c1-12(2)14-10-15(13(3)16(20)11-14)17(18(21)22-7)23-24(8,9)19(4,5)6/h14-17,20H,1,3,10-11H2,2,4-9H3/t14-,15-,16+,17-/m1/s1
InChIKeyAJIMIBKUZMDHHD-WCXIOVBPSA-N
MW354.56 g/mol
LogP4.07
Rot. Bonds5

About methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate

methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate (PubChem CID 11187370) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate
PubChem CID11187370
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate
SMILESC=C(C)[C@@H]1C[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)C(=C)[C@@H](O)C1
InChIInChI=1S/C19H34O4Si/c1-12(2)14-10-15(13(3)16(20)11-14)17(18(21)22-7)23-24(8,9)19(4,5)6/h14-17,20H,1,3,10-11H2,2,4-9H3/t14-,15-,16+,17-/m1/s1
InChIKeyAJIMIBKUZMDHHD-WCXIOVBPSA-N
XLogP4.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]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

methyl (2R)-2-[(1R,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 11280216
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2S,3S,5R)-3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]acetate
CID 11314294
methyl 2-[(1S,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylidenecyclohexyl]acetate
CID 11449859
methyl (1R,3R,5R)-3-[butyl(dimethyl)silyl]oxy-1-hydroxy-5-methyl-4-methylidenecyclohexane-1-carboxylate
CID 59994409
methyl (1S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-methylidenecyclohexane-1-carboxylate
CID 67990947
methyl (1S,3S,5R)-3-but-3-enyl-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 68100979
Methyl (5R)-5-O-[tert-butyl(dimethyl)silyl]-5-C-cyclohexyl-2,3-dideoxy-3-methyl-2-methylene-D-threo-pentonate
CID 10571228
2-[(1S,3R,5R)-5-methyl-2-methylidene-3-tri(propan-2-yl)silyloxycyclohexyl]acetic acid
CID 11151992
methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate
CID 15316242
methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate
CID 102330146
methyl (3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate
CID 102330147
methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate
CID 102427745

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate?
The IUPAC name of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate (CID 11187370) is methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate.
What is the SMILES notation for methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate?
The canonical SMILES for methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate is C=C(C)[C@@H]1C[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)C(=C)[C@@H](O)C1.
What is the InChIKey of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate?
The InChIKey is AJIMIBKUZMDHHD-WCXIOVBPSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-12(2)14-10-15(13(3)16(20)11-14)17(18(21)22-7)23-24(8,9)19(4,5)6/h14-17,20H,1,3,10-11H2,2,4-9H3/t14-,15-,16+,17-/m1/s1.
What are the key properties of methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate?
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate has a molecular weight of 354.56 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,3S,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl]acetate is sourced from PubChem (CID 11187370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).