(1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol

C16H28O2Si — CID 11414832

IUPAC(1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#C[C@@H](O)[C@H]1CC[C@H](C2CCCCC2)O1
InChIInChI=1S/C16H28O2Si/c1-19(2,3)12-11-14(17)16-10-9-15(18-16)13-7-5-4-6-8-13/h13-17H,4-10H2,1-3H3/t14-,15-,16-/m1/s1
InChIKeyOJNWLBXFZBVUBA-BZUAXINKSA-N
MW280.48 g/mol
LogP3.36
Rot. Bonds2

About (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol

(1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 11414832) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol
PubChem CID11414832
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESC[Si](C)(C)C#C[C@@H](O)[C@H]1CC[C@H](C2CCCCC2)O1
InChIInChI=1S/C16H28O2Si/c1-19(2,3)12-11-14(17)16-10-9-15(18-16)13-7-5-4-6-8-13/h13-17H,4-10H2,1-3H3/t14-,15-,16-/m1/s1
InChIKeyOJNWLBXFZBVUBA-BZUAXINKSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2S,3aS,5R,7Z,9aS)-5-[(1S)-1-bromopropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 71507486
(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol
CID 124629082
4-cycloheptyl-8-oxabicyclo[5.1.0]octane
CID 54192713
lithium 3-cyclohexylprop-1-ynyl(trimethyl)silane
CID 166444731
N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173987
(1R,4R)-1,4-dicyclohexylbut-2-yne-1,4-diol
CID 12063945
3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol
CID 586626
6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane
CID 167079205
1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol
CID 122382305
1-cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
6-cyclopentyloxane-2-carboxylic acid
CID 130585212
(3-cyclohexyl-3-prop-2-enoxyprop-1-ynyl)-trimethylsilane
CID 11207460

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol (CID 11414832) is (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol is C[Si](C)(C)C#C[C@@H](O)[C@H]1CC[C@H](C2CCCCC2)O1.
What is the InChIKey of (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is OJNWLBXFZBVUBA-BZUAXINKSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-19(2,3)12-11-14(17)16-10-9-15(18-16)13-7-5-4-6-8-13/h13-17H,4-10H2,1-3H3/t14-,15-,16-/m1/s1.
What are the key properties of (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol?
(1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 280.48 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,5R)-5-cyclohexyloxolan-2-yl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 11414832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).