methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate

C15H28O2Si — CID 11265661

IUPACmethyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate
SMILESC=C(C)[C@@H](C)CC/C(=C/C(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(2)13(3)8-9-14(10-15(16)17-4)11-18(5,6)7/h10,13H,1,8-9,11H2,2-7H3/b14-10-/t13-/m0/s1
InChIKeyCVANBOZPCAOIBX-ODUNQGDFSA-N
MW268.47 g/mol
LogP4.42
Rot. Bonds7

About methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate

methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate (PubChem CID 11265661) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate.

Molecular Properties

Compound Namemethyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate
PubChem CID11265661
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Namemethyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate
SMILESC=C(C)[C@@H](C)CC/C(=C/C(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(2)13(3)8-9-14(10-15(16)17-4)11-18(5,6)7/h10,13H,1,8-9,11H2,2-7H3/b14-10-/t13-/m0/s1
InChIKeyCVANBOZPCAOIBX-ODUNQGDFSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate?
The IUPAC name of methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate (CID 11265661) is methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate.
What is the SMILES notation for methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate?
The canonical SMILES for methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate is C=C(C)[C@@H](C)CC/C(=C/C(=O)OC)C[Si](C)(C)C.
What is the InChIKey of methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate?
The InChIKey is CVANBOZPCAOIBX-ODUNQGDFSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(2)13(3)8-9-14(10-15(16)17-4)11-18(5,6)7/h10,13H,1,8-9,11H2,2-7H3/b14-10-/t13-/m0/s1.
What are the key properties of methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate?
methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate has a molecular weight of 268.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienoate is sourced from PubChem (CID 11265661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).