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

C16H33FO2Si — CID 54428420

IUPAC(4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol
SMILESCCCC(C)(C)[Si](C)(C)OC[C@@H](C=C(F)CO)C(C)C
InChIInChI=1S/C16H33FO2Si/c1-8-9-16(4,5)20(6,7)19-12-14(13(2)3)10-15(17)11-18/h10,13-14,18H,8-9,11-12H2,1-7H3/t14-/m1/s1
InChIKeyWFTXWBKLQWDPER-CQSZACIVSA-N
MW304.52 g/mol
LogP4.91
Rot. Bonds9

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

(4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol (PubChem CID 54428420) has the molecular formula C16H33FO2Si and a molecular weight of 304.52 g/mol. Its IUPAC name is (4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol
PubChem CID54428420
Molecular FormulaC16H33FO2Si
Molecular Weight304.52 g/mol
Exact Mass304.22
IUPAC Name(4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol
SMILESCCCC(C)(C)[Si](C)(C)OC[C@@H](C=C(F)CO)C(C)C
InChIInChI=1S/C16H33FO2Si/c1-8-9-16(4,5)20(6,7)19-12-14(13(2)3)10-15(17)11-18/h10,13-14,18H,8-9,11-12H2,1-7H3/t14-/m1/s1
InChIKeyWFTXWBKLQWDPER-CQSZACIVSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol?
The IUPAC name of (4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol (CID 54428420) is (4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol.
What is the SMILES notation for (4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol?
The canonical SMILES for (4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol is CCCC(C)(C)[Si](C)(C)OC[C@@H](C=C(F)CO)C(C)C.
What is the InChIKey of (4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol?
The InChIKey is WFTXWBKLQWDPER-CQSZACIVSA-N. The full InChI is InChI=1S/C16H33FO2Si/c1-8-9-16(4,5)20(6,7)19-12-14(13(2)3)10-15(17)11-18/h10,13-14,18H,8-9,11-12H2,1-7H3/t14-/m1/s1.
What are the key properties of (4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol?
(4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol has a molecular weight of 304.52 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-2-fluoro-5-methylhex-2-en-1-ol is sourced from PubChem (CID 54428420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).