(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol

C13H26O2Si — CID 135042426

IUPAC(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@@H](O)CCC1
InChIInChI=1S/C13H26O2Si/c1-4-16(5-2,6-3)15-13-9-7-8-12(14)10-11-13/h10-14H,4-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyLTDPJFCDZGYXEL-STQMWFEESA-N
MW242.43 g/mol
LogP3.48
Rot. Bonds5

About (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol

(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol (PubChem CID 135042426) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol
PubChem CID135042426
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol
SMILESCC[Si](CC)(CC)O[C@@H]1C=C[C@@H](O)CCC1
InChIInChI=1S/C13H26O2Si/c1-4-16(5-2,6-3)15-13-9-7-8-12(14)10-11-13/h10-14H,4-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyLTDPJFCDZGYXEL-STQMWFEESA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol?
The IUPAC name of (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol (CID 135042426) is (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol is CC[Si](CC)(CC)O[C@@H]1C=C[C@@H](O)CCC1.
What is the InChIKey of (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol?
The InChIKey is LTDPJFCDZGYXEL-STQMWFEESA-N. The full InChI is InChI=1S/C13H26O2Si/c1-4-16(5-2,6-3)15-13-9-7-8-12(14)10-11-13/h10-14H,4-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol?
(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol has a molecular weight of 242.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol is sourced from PubChem (CID 135042426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).