cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate

C17H32O3Si — CID 10543166

IUPACcis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESC=CCC[C@@]1(C(=O)OC)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-8-9-12-17(15(18)19-5)13-10-11-14(17)20-21(6,7)16(2,3)4/h8,14H,1,9-13H2,2-7H3/t14-,17+/m0/s1
InChIKeyXENLBDTYLYFDHH-WMLDXEAASA-N
MW312.53 g/mol
LogP4.69
Rot. Bonds6

About cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate

cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (PubChem CID 10543166) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
PubChem CID10543166
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namecis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
SMILESC=CCC[C@@]1(C(=O)OC)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-8-9-12-17(15(18)19-5)13-10-11-14(17)20-21(6,7)16(2,3)4/h8,14H,1,9-13H2,2-7H3/t14-,17+/m0/s1
InChIKeyXENLBDTYLYFDHH-WMLDXEAASA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.69
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'}

Analyze cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate 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

cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one
CID 11808159
Ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
CID 10893618
trans-methyl (1S,2R)-1-but-3-enyl-2-methoxycyclopentane-1-carboxylate
CID 10751031
trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
CID 10660587
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyloct-7-enoate
CID 11551629
methyl 1-[2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentyl]ethyl]cyclohexa-2,5-diene-1-carboxylate
CID 101178345
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-12-(2,2-dimethylpropanoyloxy)-2-prop-2-enyldodecanoate
CID 101398238
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-(2,2-dimethylpropanoyloxy)-2-prop-2-enyloctanoate
CID 102295061

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate (CID 10543166) is cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is C=CCC[C@@]1(C(=O)OC)CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
The InChIKey is XENLBDTYLYFDHH-WMLDXEAASA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-9-12-17(15(18)19-5)13-10-11-14(17)20-21(6,7)16(2,3)4/h8,14H,1,9-13H2,2-7H3/t14-,17+/m0/s1.
What are the key properties of cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate?
cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate has a molecular weight of 312.53 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate is sourced from PubChem (CID 10543166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).