(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde

C17H30O2Si — CID 140847787

IUPAC(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde
SMILESC=C(C)[C@H]1CC(C=O)=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H30O2Si/c1-12(2)14-9-15(11-18)13(3)16(10-14)19-20(7,8)17(4,5)6/h11,14,16H,1,9-10H2,2-8H3/t14-,16-/m0/s1
InChIKeyVKJWIIIQVIJWLR-HOCLYGCPSA-N
MW294.51 g/mol
LogP4.88
Rot. Bonds4

About (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde

(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde (PubChem CID 140847787) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde
PubChem CID140847787
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde
SMILESC=C(C)[C@H]1CC(C=O)=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H30O2Si/c1-12(2)14-9-15(11-18)13(3)16(10-14)19-20(7,8)17(4,5)6/h11,14,16H,1,9-10H2,2-8H3/t14-,16-/m0/s1
InChIKeyVKJWIIIQVIJWLR-HOCLYGCPSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.88
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'}

Analyze (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The IUPAC name of (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde (CID 140847787) is (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde.
What is the SMILES notation for (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The canonical SMILES for (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde is C=C(C)[C@H]1CC(C=O)=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The InChIKey is VKJWIIIQVIJWLR-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-12(2)14-9-15(11-18)13(3)16(10-14)19-20(7,8)17(4,5)6/h11,14,16H,1,9-10H2,2-8H3/t14-,16-/m0/s1.
What are the key properties of (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde has a molecular weight of 294.51 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 140847787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).