(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol

C18H30O3Si — CID 101470111

IUPAC(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
SMILESC=C[C@H](OCc1ccccc1)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O3Si/c1-7-17(20-13-15-11-9-8-10-12-15)16(19)14-21-22(5,6)18(2,3)4/h7-12,16-17,19H,1,13-14H2,2-6H3/t16-,17+/m1/s1
InChIKeyQVJWHOQRCXIXNW-SJORKVTESA-N
MW322.52 g/mol
LogP4.14
Rot. Bonds8

About (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol

(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol (PubChem CID 101470111) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
PubChem CID101470111
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
SMILESC=C[C@H](OCc1ccccc1)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O3Si/c1-7-17(20-13-15-11-9-8-10-12-15)16(19)14-21-22(5,6)18(2,3)4/h7-12,16-17,19H,1,13-14H2,2-6H3/t16-,17+/m1/s1
InChIKeyQVJWHOQRCXIXNW-SJORKVTESA-N
XLogP4.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-6-en-2-ol
CID 24749437
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-phenylmethoxyhexan-3-ol
CID 10546896
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-phenylmethoxyundec-10-en-6-yn-5-ol
CID 134841088
(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-ethenyl-2-phenylmethoxyheptan-3-ol
CID 101378913
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol
CID 100966683
[(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxycarbonylamino)pent-1-en-3-yl] acetate
CID 10971559

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol?
The IUPAC name of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol (CID 101470111) is (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol?
The canonical SMILES for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol is C=C[C@H](OCc1ccccc1)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol?
The InChIKey is QVJWHOQRCXIXNW-SJORKVTESA-N. The full InChI is InChI=1S/C18H30O3Si/c1-7-17(20-13-15-11-9-8-10-12-15)16(19)14-21-22(5,6)18(2,3)4/h7-12,16-17,19H,1,13-14H2,2-6H3/t16-,17+/m1/s1.
What are the key properties of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol?
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol has a molecular weight of 322.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol is sourced from PubChem (CID 101470111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).