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

C19H32OSi — CID 11197489

IUPAC(3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol
SMILESC=C(C[C@@H](O)CCc1ccccc1)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32OSi/c1-16(15-21(5,6)19(2,3)4)14-18(20)13-12-17-10-8-7-9-11-17/h7-11,18,20H,1,12-15H2,2-6H3/t18-/m0/s1
InChIKeyDLSVJUIKGHDMRN-SFHVURJKSA-N
MW304.55 g/mol
LogP5.43
Rot. Bonds7

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

(3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol (PubChem CID 11197489) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is (3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol
PubChem CID11197489
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name(3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol
SMILESC=C(C[C@@H](O)CCc1ccccc1)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32OSi/c1-16(15-21(5,6)19(2,3)4)14-18(20)13-12-17-10-8-7-9-11-17/h7-11,18,20H,1,12-15H2,2-6H3/t18-/m0/s1
InChIKeyDLSVJUIKGHDMRN-SFHVURJKSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol?
The IUPAC name of (3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol (CID 11197489) is (3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol.
What is the SMILES notation for (3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol?
The canonical SMILES for (3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol is C=C(C[C@@H](O)CCc1ccccc1)C[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol?
The InChIKey is DLSVJUIKGHDMRN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H32OSi/c1-16(15-21(5,6)19(2,3)4)14-18(20)13-12-17-10-8-7-9-11-17/h7-11,18,20H,1,12-15H2,2-6H3/t18-/m0/s1.
What are the key properties of (3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol?
(3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol has a molecular weight of 304.55 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol is sourced from PubChem (CID 11197489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).