(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol

C14H30O2Si — CID 10682670

IUPAC(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
SMILESC[C@@H](/C=C\[C@@H](O)C[C@H](O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30O2Si/c1-11(17(5,6)7)8-9-12(15)10-13(16)14(2,3)4/h8-9,11-13,15-16H,10H2,1-7H3/b9-8-/t11-,12+,13-/m0/s1
InChIKeyNVVHWDYULOIJLV-ZZABBREVSA-N
MW258.48 g/mol
LogP3.43
Rot. Bonds5

About (Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol

(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol (PubChem CID 10682670) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol.

Molecular Properties

Compound Name(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
PubChem CID10682670
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
SMILESC[C@@H](/C=C\[C@@H](O)C[C@H](O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H30O2Si/c1-11(17(5,6)7)8-9-12(15)10-13(16)14(2,3)4/h8-9,11-13,15-16H,10H2,1-7H3/b9-8-/t11-,12+,13-/m0/s1
InChIKeyNVVHWDYULOIJLV-ZZABBREVSA-N
XLogP3.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.43
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)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol?
The IUPAC name of (Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol (CID 10682670) is (Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol.
What is the SMILES notation for (Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol?
The canonical SMILES for (Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-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)C.
What is the InChIKey of (Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol?
The InChIKey is NVVHWDYULOIJLV-ZZABBREVSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-11(17(5,6)7)8-9-12(15)10-13(16)14(2,3)4/h8-9,11-13,15-16H,10H2,1-7H3/b9-8-/t11-,12+,13-/m0/s1.
What are the key properties of (Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol?
(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol has a molecular weight of 258.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol is sourced from PubChem (CID 10682670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).