(Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol

C19H32O2Si — CID 10710867

IUPAC(Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol
SMILESC[C@@H](/C=C\[C@@H](O)C[C@H](O)C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H32O2Si/c1-15(22(5,6)17-10-8-7-9-11-17)12-13-16(20)14-18(21)19(2,3)4/h7-13,15-16,18,20-21H,14H2,1-6H3/b13-12-/t15-,16+,18-/m0/s1
InChIKeyYSJLTRDKDOYNEZ-KQGPQTFTSA-N
MW320.55 g/mol
LogP3.71
Rot. Bonds6

About (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol

(Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol (PubChem CID 10710867) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol.

Molecular Properties

Compound Name(Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol
PubChem CID10710867
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol
SMILESC[C@@H](/C=C\[C@@H](O)C[C@H](O)C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H32O2Si/c1-15(22(5,6)17-10-8-7-9-11-17)12-13-16(20)14-18(21)19(2,3)4/h7-13,15-16,18,20-21H,14H2,1-6H3/b13-12-/t15-,16+,18-/m0/s1
InChIKeyYSJLTRDKDOYNEZ-KQGPQTFTSA-N
XLogP3.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol?
The IUPAC name of (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol (CID 10710867) is (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol.
What is the SMILES notation for (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol?
The canonical SMILES for (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol is C[C@@H](/C=C\[C@@H](O)C[C@H](O)C(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol?
The InChIKey is YSJLTRDKDOYNEZ-KQGPQTFTSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-15(22(5,6)17-10-8-7-9-11-17)12-13-16(20)14-18(21)19(2,3)4/h7-13,15-16,18,20-21H,14H2,1-6H3/b13-12-/t15-,16+,18-/m0/s1.
What are the key properties of (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol?
(Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol has a molecular weight of 320.55 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,5S,8S)-8-[dimethyl(phenyl)silyl]-2,2-dimethylnon-6-ene-3,5-diol is sourced from PubChem (CID 10710867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).