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

C18H30O2Si — CID 11098826

IUPAC(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol
SMILESC/C=C/[C@@](C)(O)[Si@@](C)(COCc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-7-13-18(5,19)21(6,17(2,3)4)15-20-14-16-11-9-8-10-12-16/h7-13,19H,14-15H2,1-6H3/b13-7+/t18-,21-/m0/s1
InChIKeyNSGDMWZHPXRGGB-IIFKNWAHSA-N
MW306.52 g/mol
LogP4.49
Rot. Bonds6

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

(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol (PubChem CID 11098826) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol
PubChem CID11098826
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol
SMILESC/C=C/[C@@](C)(O)[Si@@](C)(COCc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-7-13-18(5,19)21(6,17(2,3)4)15-20-14-16-11-9-8-10-12-16/h7-13,19H,14-15H2,1-6H3/b13-7+/t18-,21-/m0/s1
InChIKeyNSGDMWZHPXRGGB-IIFKNWAHSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.49
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]-3-methylpent-3-en-2-ol
CID 100967279
(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
(213C)ethoxymethylbenzene
CID 87947851
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
ethane;phenylmethoxymethylbenzene
CID 90943549
ethenyl(phenylmethoxymethyl)silane
CID 154024550
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol?
The IUPAC name of (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol (CID 11098826) is (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol.
What is the SMILES notation for (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol?
The canonical SMILES for (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol is 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]pent-3-en-2-ol?
The InChIKey is NSGDMWZHPXRGGB-IIFKNWAHSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-7-13-18(5,19)21(6,17(2,3)4)15-20-14-16-11-9-8-10-12-16/h7-13,19H,14-15H2,1-6H3/b13-7+/t18-,21-/m0/s1.
What are the key properties of (E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol?
(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]pent-3-en-2-ol has a molecular weight of 306.52 g/mol, XLogP of 4.49, 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]pent-3-en-2-ol is sourced from PubChem (CID 11098826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).