(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol

C18H30O2Si — CID 10542729

IUPAC(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-14(13-17(19)16-11-9-8-10-12-16)15(2)20-21(6,7)18(3,4)5/h8-12,15,17,19H,1,13H2,2-7H3/t15-,17+/m1/s1
InChIKeyKIJDAJJYBICEOQ-WBVHZDCISA-N
MW306.52 g/mol
LogP5.08
Rot. Bonds6

About (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol

(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol (PubChem CID 10542729) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
PubChem CID10542729
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-14(13-17(19)16-11-9-8-10-12-16)15(2)20-21(6,7)18(3,4)5/h8-12,15,17,19H,1,13H2,2-7H3/t15-,17+/m1/s1
InChIKeyKIJDAJJYBICEOQ-WBVHZDCISA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.08
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'}

Analyze (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10521719
(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol
CID 10643161
tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
CID 101349147
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
(1S,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylidene-1-phenylhexan-1-ol
CID 134930493
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505
(2S,4S,7R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-7-phenylmethoxyoctan-4-ol
CID 101358520
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
tert-butyl-[(3R,4S,5S,9S,10S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethyl-7-methylidene-5,9-bis[(1S)-1-phenylethoxy]tridecan-3-yl]oxy-dimethylsilane
CID 102287789
(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10824468
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol?
The IUPAC name of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol (CID 10542729) is (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol.
What is the SMILES notation for (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol?
The canonical SMILES for (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol is C=C(C[C@H](O)c1ccccc1)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol?
The InChIKey is KIJDAJJYBICEOQ-WBVHZDCISA-N. The full InChI is InChI=1S/C18H30O2Si/c1-14(13-17(19)16-11-9-8-10-12-16)15(2)20-21(6,7)18(3,4)5/h8-12,15,17,19H,1,13H2,2-7H3/t15-,17+/m1/s1.
What are the key properties of (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol?
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol has a molecular weight of 306.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol is sourced from PubChem (CID 10542729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).