(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol

C13H24O2Si — CID 146162737

IUPAC(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol
SMILESC#C/C=C\[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-12(14)10-11-15-16(5,6)13(2,3)4/h1,8-9,12,14H,10-11H2,2-6H3/b9-8-/t12-/m1/s1
InChIKeySWVUQALDKNMXNE-JLVNDZCYSA-N
MW240.42 g/mol
LogP2.95
Rot. Bonds5

About (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol

(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol (PubChem CID 146162737) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol.

Molecular Properties

Compound Name(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol
PubChem CID146162737
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol
SMILESC#C/C=C\[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-12(14)10-11-15-16(5,6)13(2,3)4/h1,8-9,12,14H,10-11H2,2-6H3/b9-8-/t12-/m1/s1
InChIKeySWVUQALDKNMXNE-JLVNDZCYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 10489670
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
5-[(tert-Butyldimethylsilyl)oxy]pent-1-en-3-ol
CID 12184694
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(3R)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 70676656
(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol
CID 101012128

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol?
The IUPAC name of (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol (CID 146162737) is (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol.
What is the SMILES notation for (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol?
The canonical SMILES for (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol is C#C/C=C\[C@@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol?
The InChIKey is SWVUQALDKNMXNE-JLVNDZCYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-7-8-9-12(14)10-11-15-16(5,6)13(2,3)4/h1,8-9,12,14H,10-11H2,2-6H3/b9-8-/t12-/m1/s1.
What are the key properties of (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol?
(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol has a molecular weight of 240.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol is sourced from PubChem (CID 146162737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).