(1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol

C16H32O2Si — CID 15851118

IUPAC(1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC[C@@H]2C[C@]12O
InChIInChI=1S/C16H32O2Si/c1-15(2,3)19(4,5)18-11-7-6-8-13-9-10-14-12-16(13,14)17/h13-14,17H,6-12H2,1-5H3/t13-,14-,16+/m1/s1
InChIKeyYWXUCFCMNIGMCB-FMKPAKJESA-N
MW284.52 g/mol
LogP4.34
Rot. Bonds6

About (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol

(1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol (PubChem CID 15851118) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol
PubChem CID15851118
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC[C@@H]2C[C@]12O
InChIInChI=1S/C16H32O2Si/c1-15(2,3)19(4,5)18-11-7-6-8-13-9-10-14-12-16(13,14)17/h13-14,17H,6-12H2,1-5H3/t13-,14-,16+/m1/s1
InChIKeyYWXUCFCMNIGMCB-FMKPAKJESA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol?
The IUPAC name of (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol (CID 15851118) is (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol?
The canonical SMILES for (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol is CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC[C@@H]2C[C@]12O.
What is the InChIKey of (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol?
The InChIKey is YWXUCFCMNIGMCB-FMKPAKJESA-N. The full InChI is InChI=1S/C16H32O2Si/c1-15(2,3)19(4,5)18-11-7-6-8-13-9-10-14-12-16(13,14)17/h13-14,17H,6-12H2,1-5H3/t13-,14-,16+/m1/s1.
What are the key properties of (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol?
(1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]bicyclo[3.1.0]hexan-1-ol is sourced from PubChem (CID 15851118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).