1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol

C14H26OSi — CID 15526807

IUPAC1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)C#CC1(O)CCCCC1
InChIInChI=1S/C14H26OSi/c1-13(2,3)16(4,5)12-11-14(15)9-7-6-8-10-14/h15H,6-10H2,1-5H3
InChIKeyIIVUXKPJQRYIET-UHFFFAOYSA-N
MW238.45 g/mol
LogP3.73
Rot. Bonds

About 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol

1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol (PubChem CID 15526807) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol
PubChem CID15526807
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)C#CC1(O)CCCCC1
InChIInChI=1S/C14H26OSi/c1-13(2,3)16(4,5)12-11-14(15)9-7-6-8-10-14/h15H,6-10H2,1-5H3
InChIKeyIIVUXKPJQRYIET-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol (CID 15526807) is 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol is CC(C)(C)[Si](C)(C)C#CC1(O)CCCCC1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol?
The InChIKey is IIVUXKPJQRYIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-13(2,3)16(4,5)12-11-14(15)9-7-6-8-10-14/h15H,6-10H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol?
1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol has a molecular weight of 238.45 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]ethynyl]cyclohexan-1-ol is sourced from PubChem (CID 15526807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).