(Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol

C15H28O2Si — CID 11425656

IUPAC(Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol
SMILESC#C[C@H](O)C/C(C)=C(/C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-14(16)10-12(2)13(3)11-17-18(7,8)15(4,5)6/h1,14,16H,10-11H2,2-8H3/b13-12-/t14-/m0/s1
InChIKeyHWOAHNGWNRJLHY-DINCDJDBSA-N
MW268.47 g/mol
LogP3.73
Rot. Bonds5

About (Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol

(Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol (PubChem CID 11425656) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol.

Molecular Properties

Compound Name(Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol
PubChem CID11425656
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol
SMILESC#C[C@H](O)C/C(C)=C(/C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-9-14(16)10-12(2)13(3)11-17-18(7,8)15(4,5)6/h1,14,16H,10-11H2,2-8H3/b13-12-/t14-/m0/s1
InChIKeyHWOAHNGWNRJLHY-DINCDJDBSA-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'}

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Launch Full Analysis

Related Compounds

(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-4-methylcyclohex-3-en-1-ol
CID 10967467
(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-4-methylcyclohex-3-en-1-ol
CID 11254149
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhept-4-en-1-yn-3-ol
CID 10107100
(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-6-en-1-yn-3-ol
CID 49840631

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol?
The IUPAC name of (Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol (CID 11425656) is (Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol.
What is the SMILES notation for (Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol?
The canonical SMILES for (Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol is C#C[C@H](O)C/C(C)=C(/C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol?
The InChIKey is HWOAHNGWNRJLHY-DINCDJDBSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-9-14(16)10-12(2)13(3)11-17-18(7,8)15(4,5)6/h1,14,16H,10-11H2,2-8H3/b13-12-/t14-/m0/s1.
What are the key properties of (Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol?
(Z,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-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,3R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylhept-5-en-1-yn-3-ol is sourced from PubChem (CID 11425656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).