6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde

C14H26O2Si — CID 123874354

IUPAC6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde
SMILESC[SiH](C)OC(C1CC=CCC1C=O)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-14(2,3)13(16-17(4)5)12-9-7-6-8-11(12)10-15/h6-7,10-13,17H,8-9H2,1-5H3
InChIKeyZTCVOFPPNYUHDC-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.18
Rot. Bonds4

About 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde

6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde (PubChem CID 123874354) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde
PubChem CID123874354
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde
SMILESC[SiH](C)OC(C1CC=CCC1C=O)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-14(2,3)13(16-17(4)5)12-9-7-6-8-11(12)10-15/h6-7,10-13,17H,8-9H2,1-5H3
InChIKeyZTCVOFPPNYUHDC-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde (CID 123874354) is 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde is C[SiH](C)OC(C1CC=CCC1C=O)C(C)(C)C.
What is the InChIKey of 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde?
The InChIKey is ZTCVOFPPNYUHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)13(16-17(4)5)12-9-7-6-8-11(12)10-15/h6-7,10-13,17H,8-9H2,1-5H3.
What are the key properties of 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde?
6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde has a molecular weight of 254.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 123874354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).