cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol

C16H32O3Si — CID 10063395

IUPACcis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C)CCC/C(=C/CO)[C@H]1O
InChIInChI=1S/C16H32O3Si/c1-15(2,3)20(5,6)19-12-16(4)10-7-8-13(9-11-17)14(16)18/h9,14,17-18H,7-8,10-12H2,1-6H3/b13-9-/t14-,16-/m1/s1
InChIKeyNUZDNJNTAPGNPI-HHFPWCGMSA-N
MW300.51 g/mol
LogP3.48
Rot. Bonds4

About cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol

cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol (PubChem CID 10063395) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol
PubChem CID10063395
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Namecis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C)CCC/C(=C/CO)[C@H]1O
InChIInChI=1S/C16H32O3Si/c1-15(2,3)20(5,6)19-12-16(4)10-7-8-13(9-11-17)14(16)18/h9,14,17-18H,7-8,10-12H2,1-6H3/b13-9-/t14-,16-/m1/s1
InChIKeyNUZDNJNTAPGNPI-HHFPWCGMSA-N
XLogP3.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.48
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 cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol (CID 10063395) is cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol is CC(C)(C)[Si](C)(C)OC[C@@]1(C)CCC/C(=C/CO)[C@H]1O.
What is the InChIKey of cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol?
The InChIKey is NUZDNJNTAPGNPI-HHFPWCGMSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-15(2,3)20(5,6)19-12-16(4)10-7-8-13(9-11-17)14(16)18/h9,14,17-18H,7-8,10-12H2,1-6H3/b13-9-/t14-,16-/m1/s1.
What are the key properties of cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol?
cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol has a molecular weight of 300.51 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 10063395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).