1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol

C15H30O3Si — CID 173174284

IUPAC1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol
SMILESC[SiH](C)OC(C1=CCCC(C(O)CO)C1)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-15(2,3)14(18-19(4)5)12-8-6-7-11(9-12)13(17)10-16/h8,11,13-14,16-17,19H,6-7,9-10H2,1-5H3
InChIKeyABJIOADWBUPOLS-UHFFFAOYSA-N
MW286.49 g/mol
LogP2.48
Rot. Bonds5

About 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol

1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol (PubChem CID 173174284) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol
PubChem CID173174284
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol
SMILESC[SiH](C)OC(C1=CCCC(C(O)CO)C1)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-15(2,3)14(18-19(4)5)12-8-6-7-11(9-12)13(17)10-16/h8,11,13-14,16-17,19H,6-7,9-10H2,1-5H3
InChIKeyABJIOADWBUPOLS-UHFFFAOYSA-N
XLogP2.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol?
The IUPAC name of 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol (CID 173174284) is 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol?
The canonical SMILES for 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol is C[SiH](C)OC(C1=CCCC(C(O)CO)C1)C(C)(C)C.
What is the InChIKey of 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol?
The InChIKey is ABJIOADWBUPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-15(2,3)14(18-19(4)5)12-8-6-7-11(9-12)13(17)10-16/h8,11,13-14,16-17,19H,6-7,9-10H2,1-5H3.
What are the key properties of 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol?
1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol has a molecular weight of 286.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]ethane-1,2-diol is sourced from PubChem (CID 173174284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).