(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol

C19H32O2Si — CID 100967279

IUPAC(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol
SMILESC/C=C(\C)[C@@](C)(O)[Si@](C)(COCc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H32O2Si/c1-8-16(2)19(6,20)22(7,18(3,4)5)15-21-14-17-12-10-9-11-13-17/h8-13,20H,14-15H2,1-7H3/b16-8+/t19-,22+/m0/s1
InChIKeyIFZITMHANLICHK-CKSBBSOZSA-N
MW320.55 g/mol
LogP4.88
Rot. Bonds6

About (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol

(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol (PubChem CID 100967279) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol
PubChem CID100967279
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol
SMILESC/C=C(\C)[C@@](C)(O)[Si@](C)(COCc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H32O2Si/c1-8-16(2)19(6,20)22(7,18(3,4)5)15-21-14-17-12-10-9-11-13-17/h8-13,20H,14-15H2,1-7H3/b16-8+/t19-,22+/m0/s1
InChIKeyIFZITMHANLICHK-CKSBBSOZSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.88
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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Related Compounds

(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol
CID 100967276
(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol
CID 11098826
(3S,4R)-3-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-4-hydroxy-3-methylpentan-2-one
CID 100967302
(2R)-4-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]oxybutan-2-ol
CID 101190578
acetic acid;phenylmethoxymethylbenzene
CID 175214238
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
ethane;phenylmethoxymethylbenzene
CID 90943549
(E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol
CID 11348751
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol?
The IUPAC name of (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol (CID 100967279) is (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol.
What is the SMILES notation for (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol?
The canonical SMILES for (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol is C/C=C(\C)[C@@](C)(O)[Si@](C)(COCc1ccccc1)C(C)(C)C.
What is the InChIKey of (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol?
The InChIKey is IFZITMHANLICHK-CKSBBSOZSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-8-16(2)19(6,20)22(7,18(3,4)5)15-21-14-17-12-10-9-11-13-17/h8-13,20H,14-15H2,1-7H3/b16-8+/t19-,22+/m0/s1.
What are the key properties of (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol?
(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol has a molecular weight of 320.55 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol is sourced from PubChem (CID 100967279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).