[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol

C15H30O2Si — CID 14527306

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol
SMILESCC1(C)C=C(CO)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-13-9-8-12(11-16)10-15(13,4)5/h10,13,16H,8-9,11H2,1-7H3
InChIKeyDNZHMSARPNKLTJ-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.12
Rot. Bonds3

About [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol

[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol (PubChem CID 14527306) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol
PubChem CID14527306
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol
SMILESCC1(C)C=C(CO)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-13-9-8-12(11-16)10-15(13,4)5/h10,13,16H,8-9,11H2,1-7H3
InChIKeyDNZHMSARPNKLTJ-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.12
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 [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol (CID 14527306) is [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol is CC1(C)C=C(CO)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol?
The InChIKey is DNZHMSARPNKLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-14(2,3)18(6,7)17-13-9-8-12(11-16)10-15(13,4)5/h10,13,16H,8-9,11H2,1-7H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol?
[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol has a molecular weight of 270.49 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexen-1-yl]methanol is sourced from PubChem (CID 14527306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).