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

C14H26O2Si — CID 54477410

IUPAC(1S,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-/m1/s1
InChIKeyXMOLAPQPOPFRTR-CHWSQXEVSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds4

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

(1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde (PubChem CID 54477410) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
PubChem CID54477410
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1S,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-/m1/s1
InChIKeyXMOLAPQPOPFRTR-CHWSQXEVSA-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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Related Compounds

(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-3-ene-1-carbaldehyde
CID 11345833
(3E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]hexa-3,5-dienal
CID 91999004
2-[(1r,5r,6s)-6-(t-Butyldimethylsilyloxy-methyl)-5-methylcyclohex-3-en-1-yl]ethanal
CID 129746583
(1R,4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]cyclobut-2-ene-1-carbaldehyde
CID 134964705
4-Tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 134992135
4-Trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde
CID 135036773
(1s,2r,5r)-2-[t-Butyl(dimethyl)silyloxymethyl]-5-(trimethylsilyl)cyclopent-3-en-1-carbaldehyde
CID 138756387
{(1r,2r,5r)-2-[t-Butyl(dimethyl)silyloxymethyl]-5-(trimethylsilyl)cyclopent-3-en-1-yl}acetaldehyde
CID 138756415
(1r,4r,5s)-5-{[(t-Butyldimethylsilyl)oxy]methyl}-4-(trimethylsilyl)cyclopent-2-ene-1-carbaldehyde
CID 146019814
4-[(Trimethylsilyl)oxy]cyclohex-3-ene-1-carbaldehyde
CID 11830404
6-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 14851371
(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 14851372

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde (CID 54477410) is (1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1S,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 (1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
The InChIKey is XMOLAPQPOPFRTR-CHWSQXEVSA-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-/m1/s1.
What are the key properties of (1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde?
(1S,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 (1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 54477410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).