(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol

C21H36O2Si — CID 10521719

IUPAC(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
SMILESC=C(C[C@@H](O)c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C21H36O2Si/c1-16(2)19(15-23-24(7,8)21(4,5)6)17(3)14-20(22)18-12-10-9-11-13-18/h9-13,16,19-20,22H,3,14-15H2,1-2,4-8H3/t19-,20+/m0/s1
InChIKeyRHVSUPZZNHAHON-VQTJNVASSA-N
MW348.60 g/mol
LogP5.96
Rot. Bonds8

About (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol

(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol (PubChem CID 10521719) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
PubChem CID10521719
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
SMILESC=C(C[C@@H](O)c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C21H36O2Si/c1-16(2)19(15-23-24(7,8)21(4,5)6)17(3)14-20(22)18-12-10-9-11-13-18/h9-13,16,19-20,22H,3,14-15H2,1-2,4-8H3/t19-,20+/m0/s1
InChIKeyRHVSUPZZNHAHON-VQTJNVASSA-N
XLogP5.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.96
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

(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10824468
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
CID 10542729
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol
CID 10643161
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
(1S,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylidene-1-phenylhexan-1-ol
CID 134930493
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772458
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772457
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710
N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine
CID 134925763

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol?
The IUPAC name of (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol (CID 10521719) is (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol.
What is the SMILES notation for (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol?
The canonical SMILES for (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol is C=C(C[C@@H](O)c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol?
The InChIKey is RHVSUPZZNHAHON-VQTJNVASSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-16(2)19(15-23-24(7,8)21(4,5)6)17(3)14-20(22)18-12-10-9-11-13-18/h9-13,16,19-20,22H,3,14-15H2,1-2,4-8H3/t19-,20+/m0/s1.
What are the key properties of (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol?
(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol has a molecular weight of 348.60 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol is sourced from PubChem (CID 10521719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).