(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde

C15H28O3Si — CID 10493339

IUPAC(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde
SMILESCO[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)C=O
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(6,7)18-12-8-9-15(4,11-16)13(10-12)17-5/h10-11,13H,8-9H2,1-7H3/t13-,15-/m0/s1
InChIKeyLNFRCPAPDZMXFA-ZFWWWQNUSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds4

About (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde

(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde (PubChem CID 10493339) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde
PubChem CID10493339
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde
SMILESCO[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)C=O
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(6,7)18-12-8-9-15(4,11-16)13(10-12)17-5/h10-11,13H,8-9H2,1-7H3/t13-,15-/m0/s1
InChIKeyLNFRCPAPDZMXFA-ZFWWWQNUSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-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 (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde (CID 10493339) is (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde is CO[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)C=O.
What is the InChIKey of (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde?
The InChIKey is LNFRCPAPDZMXFA-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-14(2,3)19(6,7)18-12-8-9-15(4,11-16)13(10-12)17-5/h10-11,13H,8-9H2,1-7H3/t13-,15-/m0/s1.
What are the key properties of (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde?
(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde has a molecular weight of 284.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 10493339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).