1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol

C14H26O2Si — CID 54467669

IUPAC1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol
SMILESC#CCC(O)CC(O)C=C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-12(15)11-13(16)9-10-17(5,6)14(2,3)4/h1,9-10,12-13,15-16H,8,11H2,2-6H3
InChIKeyXGBXWZFAVNSMKN-UHFFFAOYSA-N
MW254.45 g/mol
LogP2.73
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol

1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol (PubChem CID 54467669) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol
PubChem CID54467669
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol
SMILESC#CCC(O)CC(O)C=C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-12(15)11-13(16)9-10-17(5,6)14(2,3)4/h1,9-10,12-13,15-16H,8,11H2,2-6H3
InChIKeyXGBXWZFAVNSMKN-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 24822910
(3S,5R)-7-(Trimethylsilyl)hept-1-en-6-yne-3,5-diol
CID 56924135
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 57389170
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595
(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
CID 15721123
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol
CID 102300469
(3s,6s)-6-(t-Butyldimethylsilyloxy)hept-1-en-3-ol
CID 129843254
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol
CID 134968749
6-Methylidene-10-trimethylsilyldec-1-en-9-yn-3-ol
CID 139252744
6-Methylidene-10-trimethylsilyldec-1-en-9-yn-5-ol
CID 139252751
5-Methylidene-1-trimethylsilyldec-9-en-1-yn-4-ol
CID 139252754

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol (CID 54467669) is 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol is C#CCC(O)CC(O)C=C[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol?
The InChIKey is XGBXWZFAVNSMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-8-12(15)11-13(16)9-10-17(5,6)14(2,3)4/h1,9-10,12-13,15-16H,8,11H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol?
1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol has a molecular weight of 254.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oct-1-en-7-yne-3,5-diol is sourced from PubChem (CID 54467669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).