(Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol

C16H33FO2Si — CID 88610375

IUPAC(Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol
SMILESCCCC(C)(C)[Si](C)(C)OCC(/C=C\C(O)F)C(C)C
InChIInChI=1S/C16H33FO2Si/c1-8-11-16(4,5)20(6,7)19-12-14(13(2)3)9-10-15(17)18/h9-10,13-15,18H,8,11-12H2,1-7H3/b10-9-
InChIKeyCEUJHWDZZAJIDH-KTKRTIGZSA-N
MW304.52 g/mol
LogP4.90
Rot. Bonds9

About (Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol

(Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol (PubChem CID 88610375) has the molecular formula C16H33FO2Si and a molecular weight of 304.52 g/mol. Its IUPAC name is (Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol
PubChem CID88610375
Molecular FormulaC16H33FO2Si
Molecular Weight304.52 g/mol
Exact Mass304.22
IUPAC Name(Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol
SMILESCCCC(C)(C)[Si](C)(C)OCC(/C=C\C(O)F)C(C)C
InChIInChI=1S/C16H33FO2Si/c1-8-11-16(4,5)20(6,7)19-12-14(13(2)3)9-10-15(17)18/h9-10,13-15,18H,8,11-12H2,1-7H3/b10-9-
InChIKeyCEUJHWDZZAJIDH-KTKRTIGZSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
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)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol?
The IUPAC name of (Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol (CID 88610375) is (Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol.
What is the SMILES notation for (Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol?
The canonical SMILES for (Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol is CCCC(C)(C)[Si](C)(C)OCC(/C=C\C(O)F)C(C)C.
What is the InChIKey of (Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol?
The InChIKey is CEUJHWDZZAJIDH-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H33FO2Si/c1-8-11-16(4,5)20(6,7)19-12-14(13(2)3)9-10-15(17)18/h9-10,13-15,18H,8,11-12H2,1-7H3/b10-9-.
What are the key properties of (Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol?
(Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol has a molecular weight of 304.52 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-1-fluoro-5-methylhex-2-en-1-ol is sourced from PubChem (CID 88610375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).