1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde

C14H26O2Si — CID 151684058

IUPAC1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde
SMILESCC1=C(C)C(CO[SiH3])C(C=O)(C(C)(C)C)CC1
InChIInChI=1S/C14H26O2Si/c1-10-6-7-14(9-15,13(3,4)5)12(8-16-17)11(10)2/h9,12H,6-8H2,1-5,17H3
InChIKeyRBDNWCGFOZWUKP-UHFFFAOYSA-N
MW254.45 g/mol
LogP2.26
Rot. Bonds3

About 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde

1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde (PubChem CID 151684058) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde
PubChem CID151684058
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde
SMILESCC1=C(C)C(CO[SiH3])C(C=O)(C(C)(C)C)CC1
InChIInChI=1S/C14H26O2Si/c1-10-6-7-14(9-15,13(3,4)5)12(8-16-17)11(10)2/h9,12H,6-8H2,1-5,17H3
InChIKeyRBDNWCGFOZWUKP-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 52.26
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

1,3,3-Trimethyl-2-[2-(tert-butyl)dimethylsyloxyethyl]cyclohexene-4-carboxaldehyde
CID 552393

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde (CID 151684058) is 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde is CC1=C(C)C(CO[SiH3])C(C=O)(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde?
The InChIKey is RBDNWCGFOZWUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-10-6-7-14(9-15,13(3,4)5)12(8-16-17)11(10)2/h9,12H,6-8H2,1-5,17H3.
What are the key properties of 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde?
1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde has a molecular weight of 254.45 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dimethyl-2-(silyloxymethyl)cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 151684058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).