trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol

C16H28O2Si — CID 122234238

IUPACtrans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol
SMILESC#C[C@]1(CO[Si](C)(C)C(C)(C)C)CCCC(=C)[C@@H]1O
InChIInChI=1S/C16H28O2Si/c1-8-16(11-9-10-13(2)14(16)17)12-18-19(6,7)15(3,4)5/h1,14,17H,2,9-12H2,3-7H3/t14-,16+/m0/s1
InChIKeyMFNMKSIQKDSFSL-GOEBONIOSA-N
MW280.48 g/mol
LogP3.73
Rot. Bonds3

About trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol

trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol (PubChem CID 122234238) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol
PubChem CID122234238
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nametrans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol
SMILESC#C[C@]1(CO[Si](C)(C)C(C)(C)C)CCCC(=C)[C@@H]1O
InChIInChI=1S/C16H28O2Si/c1-8-16(11-9-10-13(2)14(16)17)12-18-19(6,7)15(3,4)5/h1,14,17H,2,9-12H2,3-7H3/t14-,16+/m0/s1
InChIKeyMFNMKSIQKDSFSL-GOEBONIOSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.73
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol (CID 122234238) is trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol is C#C[C@]1(CO[Si](C)(C)C(C)(C)C)CCCC(=C)[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol?
The InChIKey is MFNMKSIQKDSFSL-GOEBONIOSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-8-16(11-9-10-13(2)14(16)17)12-18-19(6,7)15(3,4)5/h1,14,17H,2,9-12H2,3-7H3/t14-,16+/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol?
trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol has a molecular weight of 280.48 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-6-methylidenecyclohexan-1-ol is sourced from PubChem (CID 122234238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).