(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol

C19H32O2Si — CID 101047793

IUPAC(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32O2Si/c1-8-15(2)17(20)14-18(16-12-10-9-11-13-16)21-22(6,7)19(3,4)5/h8-13,15,17-18,20H,1,14H2,2-7H3/t15-,17-,18+/m0/s1
InChIKeyXRTIUKCHDHTTQS-RYQLBKOJSA-N
MW320.55 g/mol
LogP5.32
Rot. Bonds7

About (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol

(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol (PubChem CID 101047793) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
PubChem CID101047793
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32O2Si/c1-8-15(2)17(20)14-18(16-12-10-9-11-13-16)21-22(6,7)19(3,4)5/h8-13,15,17-18,20H,1,14H2,2-7H3/t15-,17-,18+/m0/s1
InChIKeyXRTIUKCHDHTTQS-RYQLBKOJSA-N
XLogP5.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.32
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

tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
(2S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-6-en-2-ol
CID 24749437
(1S,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-1-chloro-1-phenylhex-5-en-3-ol
CID 134851798
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
CID 10542729
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 22867082
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505
tert-butyl-dimethyl-[(1S)-4-nitro-1-phenylbutoxy]silane
CID 11141410

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol?
The IUPAC name of (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol (CID 101047793) is (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol.
What is the SMILES notation for (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol?
The canonical SMILES for (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol is C=C[C@H](C)[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol?
The InChIKey is XRTIUKCHDHTTQS-RYQLBKOJSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-8-15(2)17(20)14-18(16-12-10-9-11-13-16)21-22(6,7)19(3,4)5/h8-13,15,17-18,20H,1,14H2,2-7H3/t15-,17-,18+/m0/s1.
What are the key properties of (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol?
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol has a molecular weight of 320.55 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol is sourced from PubChem (CID 101047793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).