(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol

C15H28O2Si — CID 10107100

IUPAC(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol
SMILESC#CC(O)/C(C)=C(/C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-14(16)13(3)12(2)10-11-17-18(7,8)15(4,5)6/h1,14,16H,10-11H2,2-8H3/b13-12-
InChIKeyFZMHUJXZDDCASH-SEYXRHQNSA-N
MW268.47 g/mol
LogP3.73
Rot. Bonds5

About (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol

(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol (PubChem CID 10107100) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol
PubChem CID10107100
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol
SMILESC#CC(O)/C(C)=C(/C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-14(16)13(3)12(2)10-11-17-18(7,8)15(4,5)6/h1,14,16H,10-11H2,2-8H3/b13-12-
InChIKeyFZMHUJXZDDCASH-SEYXRHQNSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
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'}

Analyze (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol 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

(Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol
CID 11425656
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylpent-2-en-1-ol
CID 10377184
4,5-Dimethyl-1-trimethylsilylhex-4-en-1-yn-3-ol
CID 10397796
(E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol
CID 10421788
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol
CID 10466844
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-3-en-5-yn-2-ol
CID 10594971
(E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol
CID 10868727
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol
CID 11163077
(E,2S)-3-ethynyl-6-triethylsilylhex-3-en-5-yne-1,2-diol
CID 11218923
6-Methyl-3-propan-2-ylidene-6-triethylsilyloxyhept-4-yn-2-ol
CID 101035752
(Z,2S)-3-ethynyl-6-triethylsilylhex-3-en-5-yne-1,2-diol
CID 101100787
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbut-2-en-1-ol
CID 101420162

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol?
The IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol (CID 10107100) is (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol.
What is the SMILES notation for (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol?
The canonical SMILES for (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol is C#CC(O)/C(C)=C(/C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol?
The InChIKey is FZMHUJXZDDCASH-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-9-14(16)13(3)12(2)10-11-17-18(7,8)15(4,5)6/h1,14,16H,10-11H2,2-8H3/b13-12-.
What are the key properties of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol?
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol has a molecular weight of 268.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol is sourced from PubChem (CID 10107100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).