methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate

C19H36O3Si — CID 11186873

IUPACmethyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate
SMILESC=C1C(C)(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC(=O)OC
InChIInChI=1S/C19H36O3Si/c1-14-18(5,6)12-11-15(19(14,7)13-16(20)21-8)22-23(9,10)17(2,3)4/h15H,1,11-13H2,2-10H3/t15-,19-/m1/s1
InChIKeyMVIYMPRJIAWBOX-DNVCBOLYSA-N
MW340.58 g/mol
LogP5.32
Rot. Bonds4

About methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate

methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate (PubChem CID 11186873) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate
PubChem CID11186873
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Namemethyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate
SMILESC=C1C(C)(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC(=O)OC
InChIInChI=1S/C19H36O3Si/c1-14-18(5,6)12-11-15(19(14,7)13-16(20)21-8)22-23(9,10)17(2,3)4/h15H,1,11-13H2,2-10H3/t15-,19-/m1/s1
InChIKeyMVIYMPRJIAWBOX-DNVCBOLYSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.32
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate?
The IUPAC name of methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate (CID 11186873) is methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate.
What is the SMILES notation for methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate?
The canonical SMILES for methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate is C=C1C(C)(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC(=O)OC.
What is the InChIKey of methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate?
The InChIKey is MVIYMPRJIAWBOX-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-14-18(5,6)12-11-15(19(14,7)13-16(20)21-8)22-23(9,10)17(2,3)4/h15H,1,11-13H2,2-10H3/t15-,19-/m1/s1.
What are the key properties of methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate?
methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate has a molecular weight of 340.58 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate is sourced from PubChem (CID 11186873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).