methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate

C16H28O3Si — CID 77224704

IUPACmethyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate
SMILESC=C1CCC(=CC(=O)OC)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-12-8-9-13(11-15(17)18-5)10-14(12)19-20(6,7)16(2,3)4/h11,14H,1,8-10H2,2-7H3
InChIKeyIMSXIMKTDVJFEW-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.22
Rot. Bonds3

About methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate (PubChem CID 77224704) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate
PubChem CID77224704
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Namemethyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate
SMILESC=C1CCC(=CC(=O)OC)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-12-8-9-13(11-15(17)18-5)10-14(12)19-20(6,7)16(2,3)4/h11,14H,1,8-10H2,2-7H3
InChIKeyIMSXIMKTDVJFEW-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.22
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-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 (E)-3-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]prop-2-enoate
CID 15934809
methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 10710401
ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 14483734
Ethyl 2-(4-methoxycyclohexylidene)acetate
CID 564798
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
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
ethyl (2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhepta-2,6-dienoate
CID 24881280
methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 46944390
(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one
CID 53343689

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate?
The IUPAC name of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate (CID 77224704) is methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate.
What is the SMILES notation for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate?
The canonical SMILES for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate is C=C1CCC(=CC(=O)OC)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate?
The InChIKey is IMSXIMKTDVJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-12-8-9-13(11-15(17)18-5)10-14(12)19-20(6,7)16(2,3)4/h11,14H,1,8-10H2,2-7H3.
What are the key properties of methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate?
methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate has a molecular weight of 296.48 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexylidene]acetate is sourced from PubChem (CID 77224704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).