(E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol

C13H28O2Si — CID 10490532

IUPAC(E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol
SMILESC/C=C(/O[Si](C)(C)C)[C@H](C)[C@H](O)[C@@H](C)CC
InChIInChI=1S/C13H28O2Si/c1-8-10(3)13(14)11(4)12(9-2)15-16(5,6)7/h9-11,13-14H,8H2,1-7H3/b12-9+/t10-,11-,13+/m0/s1
InChIKeyMENVGKQRKBYQBG-CTANNQCISA-N
MW244.45 g/mol
LogP3.78
Rot. Bonds6

About (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol

(E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol (PubChem CID 10490532) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol.

Molecular Properties

Compound Name(E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol
PubChem CID10490532
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol
SMILESC/C=C(/O[Si](C)(C)C)[C@H](C)[C@H](O)[C@@H](C)CC
InChIInChI=1S/C13H28O2Si/c1-8-10(3)13(14)11(4)12(9-2)15-16(5,6)7/h9-11,13-14H,8H2,1-7H3/b12-9+/t10-,11-,13+/m0/s1
InChIKeyMENVGKQRKBYQBG-CTANNQCISA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol?
The IUPAC name of (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol (CID 10490532) is (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol.
What is the SMILES notation for (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol?
The canonical SMILES for (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol is C/C=C(/O[Si](C)(C)C)[C@H](C)[C@H](O)[C@@H](C)CC.
What is the InChIKey of (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol?
The InChIKey is MENVGKQRKBYQBG-CTANNQCISA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-10(3)13(14)11(4)12(9-2)15-16(5,6)7/h9-11,13-14H,8H2,1-7H3/b12-9+/t10-,11-,13+/m0/s1.
What are the key properties of (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol?
(E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol has a molecular weight of 244.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol is sourced from PubChem (CID 10490532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).