[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate

C19H36O2Si — CID 11174747

IUPAC[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate
SMILESC=C(C)[C@@H](C)CC/C(=C/COC(=O)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-15(2)16(3)10-11-17(14-22(7,8)9)12-13-21-18(20)19(4,5)6/h12,16H,1,10-11,13-14H2,2-9H3/b17-12-/t16-/m0/s1
InChIKeyCUDLROGZIDLOTM-BQGMYUGNSA-N
MW324.58 g/mol
LogP5.83
Rot. Bonds8

About [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate

[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate (PubChem CID 11174747) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate
PubChem CID11174747
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate
SMILESC=C(C)[C@@H](C)CC/C(=C/COC(=O)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-15(2)16(3)10-11-17(14-22(7,8)9)12-13-21-18(20)19(4,5)6/h12,16H,1,10-11,13-14H2,2-9H3/b17-12-/t16-/m0/s1
InChIKeyCUDLROGZIDLOTM-BQGMYUGNSA-N
XLogP5.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.83
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'}

Analyze [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

Phytol propionate
CID 91752769
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] 2-methylpropanoate
CID 140367243
methyl (E)-3-methyl-4-[(Z)-2-triethylsilyloxyethenyl]hept-2-enoate
CID 134941361
[(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate
CID 134997827
Dihydrofarnesyl propanoate
CID 6431103
ethyl (E)-3-cyclohexyl-2-(trimethylsilylmethyl)prop-2-enoate
CID 11254193
ethyl (Z)-2-(trimethylsilylmethyl)dec-2-enoate
CID 12100228
ethyl (Z)-4-ethyl-2-(trimethylsilylmethyl)oct-2-enoate
CID 12100229
ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate
CID 101274652
[(E)-3,7,11,15-tetramethylhexadec-2-enyl] 2-methylpropanoate
CID 12971761
3,7,11,15-Tetramethylhexadec-2-enyl 2,2-dimethylpropanoate
CID 53648053
3,7,11,15-Tetramethylhexadec-2-enyl propanoate
CID 53997775

Frequently Asked Questions

What is the IUPAC name of [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate (CID 11174747) is [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate is C=C(C)[C@@H](C)CC/C(=C/COC(=O)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate?
The InChIKey is CUDLROGZIDLOTM-BQGMYUGNSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-15(2)16(3)10-11-17(14-22(7,8)9)12-13-21-18(20)19(4,5)6/h12,16H,1,10-11,13-14H2,2-9H3/b17-12-/t16-/m0/s1.
What are the key properties of [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate?
[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate has a molecular weight of 324.58 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11174747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).