(Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol

C19H40O3Si — CID 11142486

IUPAC(Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol
SMILESC/C=C\[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H40O3Si/c1-10-11-16(8)19(21)17(9)18(20)12-22-23(13(2)3,14(4)5)15(6)7/h10-11,13-21H,12H2,1-9H3/b11-10-/t16-,17-,18+,19+/m1/s1
InChIKeyORLBFSONHCRDGV-ODQLWDJGSA-N
MW344.61 g/mol
LogP4.75
Rot. Bonds10

About (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol

(Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol (PubChem CID 11142486) has the molecular formula C19H40O3Si and a molecular weight of 344.61 g/mol. Its IUPAC name is (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol.

Molecular Properties

Compound Name(Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol
PubChem CID11142486
Molecular FormulaC19H40O3Si
Molecular Weight344.61 g/mol
Exact Mass344.27
IUPAC Name(Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol
SMILESC/C=C\[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H40O3Si/c1-10-11-16(8)19(21)17(9)18(20)12-22-23(13(2)3,14(4)5)15(6)7/h10-11,13-21H,12H2,1-9H3/b11-10-/t16-,17-,18+,19+/m1/s1
InChIKeyORLBFSONHCRDGV-ODQLWDJGSA-N
XLogP4.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol with MolForge

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Launch Full Analysis

Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
CID 15092897
(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
CID 11196999
(1S,2R,6R)-2-ethenyl-6-methyl-3-trimethylsilyloxycyclohex-3-en-1-ol
CID 12771833
(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol
CID 14107959
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol
CID 53329014
[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]methanol
CID 134859641
(E,3R)-6-tributylstannyl-4-[tri(propan-2-yl)silyloxymethyl]hept-5-en-3-ol
CID 134905793
[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol
CID 11382298
(3S,4S,6E,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyldodeca-6,10-dien-1-ol
CID 50915854
(E,2S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-3-en-1-ol
CID 60145093
(E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol
CID 11858811

Frequently Asked Questions

What is the IUPAC name of (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol?
The IUPAC name of (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol (CID 11142486) is (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol.
What is the SMILES notation for (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol?
The canonical SMILES for (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol is C/C=C\[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol?
The InChIKey is ORLBFSONHCRDGV-ODQLWDJGSA-N. The full InChI is InChI=1S/C19H40O3Si/c1-10-11-16(8)19(21)17(9)18(20)12-22-23(13(2)3,14(4)5)15(6)7/h10-11,13-21H,12H2,1-9H3/b11-10-/t16-,17-,18+,19+/m1/s1.
What are the key properties of (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol?
(Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol has a molecular weight of 344.61 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-ene-2,4-diol is sourced from PubChem (CID 11142486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).