[[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate

C14H26O2Si — CID 57008535

IUPAC[[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate
SMILESCCC(=O)OC(C1=CCC[C@@H](C)C1)[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-6-13(15)16-14(17(3,4)5)12-9-7-8-11(2)10-12/h9,11,14H,6-8,10H2,1-5H3/t11-,14?/m1/s1
InChIKeyIPVHHHLGJDRWBG-YNODCEANSA-N
MW254.45 g/mol
LogP3.93
Rot. Bonds4

About [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate

[[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate (PubChem CID 57008535) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate.

Molecular Properties

Compound Name[[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate
PubChem CID57008535
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name[[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate
SMILESCCC(=O)OC(C1=CCC[C@@H](C)C1)[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-6-13(15)16-14(17(3,4)5)12-9-7-8-11(2)10-12/h9,11,14H,6-8,10H2,1-5H3/t11-,14?/m1/s1
InChIKeyIPVHHHLGJDRWBG-YNODCEANSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.93
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'}

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Frequently Asked Questions

What is the IUPAC name of [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate?
The IUPAC name of [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate (CID 57008535) is [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate.
What is the SMILES notation for [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate?
The canonical SMILES for [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate is CCC(=O)OC(C1=CCC[C@@H](C)C1)[Si](C)(C)C.
What is the InChIKey of [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate?
The InChIKey is IPVHHHLGJDRWBG-YNODCEANSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-13(15)16-14(17(3,4)5)12-9-7-8-11(2)10-12/h9,11,14H,6-8,10H2,1-5H3/t11-,14?/m1/s1.
What are the key properties of [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate?
[[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate has a molecular weight of 254.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5R)-5-methylcyclohexen-1-yl]-trimethylsilylmethyl] propanoate is sourced from PubChem (CID 57008535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).