[(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate

C18H32O2Si — CID 101336632

IUPAC[(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate
SMILESC=C1C(COC(=O)C(C)(C)C)=C(C[Si](C)(C)C)CC[C@@H]1C
InChIInChI=1S/C18H32O2Si/c1-13-9-10-15(12-21(6,7)8)16(14(13)2)11-20-17(19)18(3,4)5/h13H,2,9-12H2,1,3-8H3/t13-/m0/s1
InChIKeyDUBDVTAWJQJWJU-ZDUSSCGKSA-N
MW308.54 g/mol
LogP5.20
Rot. Bonds4

About [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate

[(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 101336632) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate
PubChem CID101336632
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name[(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate
SMILESC=C1C(COC(=O)C(C)(C)C)=C(C[Si](C)(C)C)CC[C@@H]1C
InChIInChI=1S/C18H32O2Si/c1-13-9-10-15(12-21(6,7)8)16(14(13)2)11-20-17(19)18(3,4)5/h13H,2,9-12H2,1,3-8H3/t13-/m0/s1
InChIKeyDUBDVTAWJQJWJU-ZDUSSCGKSA-N
XLogP5.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(4aS,8aR)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,8a-dihydro-3H-naphthalen-1-yl]methyl acetate
CID 135003428
butyl (2E,4E)-7-cyclohexyl-5-methyl-7-tri(propan-2-yl)silyloxyhepta-2,4-dienoate
CID 138965235
[(1E,3E)-1-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]trideca-1,3-dien-5-yl] acetate
CID 14851387
[(1E,3E)-1-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]trideca-1,3-dien-5-yl] acetate
CID 14851388
[[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate
CID 18652297
[(5,6-Dimethylcyclohexen-1-yl)-trimethylsilylmethyl] acetate
CID 19760479
[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexen-1-yl]methyl acetate
CID 22854365
1-[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]trideca-1,3-dien-5-yl acetate
CID 53668730
1-[(1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]trideca-1,3-dien-5-yl acetate
CID 54132742
[[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate
CID 57008535
[(2Z)-2-[(3S,5S)-5-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethyl] acetate
CID 59097337
[(1E,3E)-1-[(1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]trideca-1,3-dien-5-yl] acetate
CID 88454171

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate (CID 101336632) is [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate is C=C1C(COC(=O)C(C)(C)C)=C(C[Si](C)(C)C)CC[C@@H]1C.
What is the InChIKey of [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is DUBDVTAWJQJWJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-13-9-10-15(12-21(6,7)8)16(14(13)2)11-20-17(19)18(3,4)5/h13H,2,9-12H2,1,3-8H3/t13-/m0/s1.
What are the key properties of [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate?
[(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 308.54 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-methyl-6-methylidene-2-(trimethylsilylmethyl)cyclohexen-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 101336632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).