(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde

C14H26O2Si — CID 14851372

IUPAC(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC=CC[C@H]1C=O
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-11-13-9-7-6-8-12(13)10-15/h6-7,10,12-13H,8-9,11H2,1-5H3/t12-,13+/m0/s1
InChIKeyXMOLAPQPOPFRTR-QWHCGFSZSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds4

About (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde

(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde (PubChem CID 14851372) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
PubChem CID14851372
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC=CC[C@H]1C=O
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-11-13-9-7-6-8-12(13)10-15/h6-7,10,12-13H,8-9,11H2,1-5H3/t12-,13+/m0/s1
InChIKeyXMOLAPQPOPFRTR-QWHCGFSZSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde (CID 14851372) is (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@H]1CC=CC[C@H]1C=O.
What is the InChIKey of (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
The InChIKey is XMOLAPQPOPFRTR-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-11-13-9-7-6-8-12(13)10-15/h6-7,10,12-13H,8-9,11H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde has a molecular weight of 254.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 14851372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).