[7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol

C14H28O2Si — CID 171844502

IUPAC[7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CO)C12CC2
InChIInChI=1S/C14H28O2Si/c1-13(2,3)17(4,5)16-12-7-6-11(10-15)14(12)8-9-14/h11-12,15H,6-10H2,1-5H3
InChIKeyNFDHHTRNDUQWII-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.56
Rot. Bonds3

About [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol

[7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol (PubChem CID 171844502) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol.

Molecular Properties

Compound Name[7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol
PubChem CID171844502
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name[7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CO)C12CC2
InChIInChI=1S/C14H28O2Si/c1-13(2,3)17(4,5)16-12-7-6-11(10-15)14(12)8-9-14/h11-12,15H,6-10H2,1-5H3
InChIKeyNFDHHTRNDUQWII-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol?
The IUPAC name of [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol (CID 171844502) is [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol.
What is the SMILES notation for [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol?
The canonical SMILES for [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol is CC(C)(C)[Si](C)(C)OC1CCC(CO)C12CC2.
What is the InChIKey of [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol?
The InChIKey is NFDHHTRNDUQWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-13(2,3)17(4,5)16-12-7-6-11(10-15)14(12)8-9-14/h11-12,15H,6-10H2,1-5H3.
What are the key properties of [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol?
[7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol has a molecular weight of 256.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[tert-butyl(dimethyl)silyl]oxyspiro[2.4]heptan-4-yl]methanol is sourced from PubChem (CID 171844502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).