2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol

C14H28O4Si — CID 162009223

IUPAC2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol
SMILESCO[C@H](O)C1C(C)=CC(OCC[Si](C)(C)C)CC1O
InChIInChI=1S/C14H28O4Si/c1-10-8-11(18-6-7-19(3,4)5)9-12(15)13(10)14(16)17-2/h8,11-16H,6-7,9H2,1-5H3/t11?,12?,13?,14-/m0/s1
InChIKeyYTGBVPAXCPJVGU-XOZUOACSSA-N
MW288.46 g/mol
LogP2.00
Rot. Bonds6

About 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol

2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol (PubChem CID 162009223) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol
PubChem CID162009223
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol
SMILESCO[C@H](O)C1C(C)=CC(OCC[Si](C)(C)C)CC1O
InChIInChI=1S/C14H28O4Si/c1-10-8-11(18-6-7-19(3,4)5)9-12(15)13(10)14(16)17-2/h8,11-16H,6-7,9H2,1-5H3/t11?,12?,13?,14-/m0/s1
InChIKeyYTGBVPAXCPJVGU-XOZUOACSSA-N
XLogP2.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol?
The IUPAC name of 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol (CID 162009223) is 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol.
What is the SMILES notation for 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol?
The canonical SMILES for 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol is CO[C@H](O)C1C(C)=CC(OCC[Si](C)(C)C)CC1O.
What is the InChIKey of 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol?
The InChIKey is YTGBVPAXCPJVGU-XOZUOACSSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10-8-11(18-6-7-19(3,4)5)9-12(15)13(10)14(16)17-2/h8,11-16H,6-7,9H2,1-5H3/t11?,12?,13?,14-/m0/s1.
What are the key properties of 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol?
2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol has a molecular weight of 288.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-hydroxy(methoxy)methyl]-3-methyl-5-(2-trimethylsilylethoxy)cyclohex-3-en-1-ol is sourced from PubChem (CID 162009223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).