methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate

C18H32O3Si — CID 134844353

IUPACmethyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate
SMILESC=CC[C@]1([C@@H](C)CC(=O)OC)CC(C)(C)C=C1O[Si](C)(C)C
InChIInChI=1S/C18H32O3Si/c1-9-10-18(14(2)11-16(19)20-5)13-17(3,4)12-15(18)21-22(6,7)8/h9,12,14H,1,10-11,13H2,2-8H3/t14-,18+/m0/s1
InChIKeyYHLRVGMLBIPUIQ-KBXCAEBGSA-N
MW324.54 g/mol
LogP4.91
Rot. Bonds7

About methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate

methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate (PubChem CID 134844353) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate
PubChem CID134844353
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Namemethyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate
SMILESC=CC[C@]1([C@@H](C)CC(=O)OC)CC(C)(C)C=C1O[Si](C)(C)C
InChIInChI=1S/C18H32O3Si/c1-9-10-18(14(2)11-16(19)20-5)13-17(3,4)12-15(18)21-22(6,7)8/h9,12,14H,1,10-11,13H2,2-8H3/t14-,18+/m0/s1
InChIKeyYHLRVGMLBIPUIQ-KBXCAEBGSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.91
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 methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,6,6a-tetrahydro-1H-pentalen-3a-yl]propanoate
CID 10914730
Ethyl 1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-4-methylcyclohex-3-ene-1-carboxylate
CID 49871243
ethyl (1S,2S)-1-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 54598135
ethyl (1R)-1-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 134835004
methyl 3-[(1R)-1-methyl-2-trimethylsilyloxycyclopent-2-en-1-yl]propanoate
CID 101768064
methyl 3-[(1S)-1-ethyl-2-trimethylsilyloxycyclohex-2-en-1-yl]propanoate
CID 10424035
Methyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate
CID 10425685
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-methylpropanoate
CID 10782411
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(4,4-dimethylcyclopenten-1-yl)pentanoate
CID 10991451
Methyl 2-methyl-2-(3-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
CID 11076513
1-O-[tert-butyl(dimethyl)silyl] 5-O-ethyl (2S,3S,4S)-3-[(E)-hept-1-enyl]-2-methyl-4-pentylpentanedioate
CID 11316996
methyl 9-[2-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-oct-1-enyl]cyclopenten-1-yl]nonanoate
CID 11386048

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate?
The IUPAC name of methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate (CID 134844353) is methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate.
What is the SMILES notation for methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate?
The canonical SMILES for methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate is C=CC[C@]1([C@@H](C)CC(=O)OC)CC(C)(C)C=C1O[Si](C)(C)C.
What is the InChIKey of methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate?
The InChIKey is YHLRVGMLBIPUIQ-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-9-10-18(14(2)11-16(19)20-5)13-17(3,4)12-15(18)21-22(6,7)8/h9,12,14H,1,10-11,13H2,2-8H3/t14-,18+/m0/s1.
What are the key properties of methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate?
methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate has a molecular weight of 324.54 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[(1R)-4,4-dimethyl-1-prop-2-enyl-2-trimethylsilyloxycyclopent-2-en-1-yl]butanoate is sourced from PubChem (CID 134844353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).