(1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol

C18H28O2Si — CID 177483276

IUPAC(1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol
SMILESC[C@@H](C=C=C([C@H](O)c1ccccc1)[Si](C)(C)C)C(C)(C)O
InChIInChI=1S/C18H28O2Si/c1-14(18(2,3)20)12-13-16(21(4,5)6)17(19)15-10-8-7-9-11-15/h7-12,14,17,19-20H,1-6H3/t13?,14-,17+/m0/s1
InChIKeyTXJWLWLSNMVPGZ-XLGXCUCASA-N
MW304.51 g/mol
LogP4.09
Rot. Bonds5

About (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol

(1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol (PubChem CID 177483276) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol.

Molecular Properties

Compound Name(1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol
PubChem CID177483276
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name(1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol
SMILESC[C@@H](C=C=C([C@H](O)c1ccccc1)[Si](C)(C)C)C(C)(C)O
InChIInChI=1S/C18H28O2Si/c1-14(18(2,3)20)12-13-16(21(4,5)6)17(19)15-10-8-7-9-11-15/h7-12,14,17,19-20H,1-6H3/t13?,14-,17+/m0/s1
InChIKeyTXJWLWLSNMVPGZ-XLGXCUCASA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol?
The IUPAC name of (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol (CID 177483276) is (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol.
What is the SMILES notation for (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol?
The canonical SMILES for (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol is C[C@@H](C=C=C([C@H](O)c1ccccc1)[Si](C)(C)C)C(C)(C)O.
What is the InChIKey of (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol?
The InChIKey is TXJWLWLSNMVPGZ-XLGXCUCASA-N. The full InChI is InChI=1S/C18H28O2Si/c1-14(18(2,3)20)12-13-16(21(4,5)6)17(19)15-10-8-7-9-11-15/h7-12,14,17,19-20H,1-6H3/t13?,14-,17+/m0/s1.
What are the key properties of (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol?
(1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol has a molecular weight of 304.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5,6-dimethyl-1-phenyl-2-trimethylsilylhepta-2,3-diene-1,6-diol is sourced from PubChem (CID 177483276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).