(5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol

C19H30OSi — CID 11335668

IUPAC(5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol
SMILESC=CCC(O)[C@@H](C)[C@@H](/C=C/C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C19H30OSi/c1-6-11-19(20)16(2)18(14-10-15-21(3,4)5)17-12-8-7-9-13-17/h6-10,12-14,16,18-20H,1,11,15H2,2-5H3/b14-10+/t16-,18+,19?/m0/s1
InChIKeyPBUTXXCYNGCSCF-AFPOMNJPSA-N
MW302.53 g/mol
LogP5.24
Rot. Bonds8

About (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol

(5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol (PubChem CID 11335668) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol.

Molecular Properties

Compound Name(5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol
PubChem CID11335668
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Name(5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol
SMILESC=CCC(O)[C@@H](C)[C@@H](/C=C/C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C19H30OSi/c1-6-11-19(20)16(2)18(14-10-15-21(3,4)5)17-12-8-7-9-13-17/h6-10,12-14,16,18-20H,1,11,15H2,2-5H3/b14-10+/t16-,18+,19?/m0/s1
InChIKeyPBUTXXCYNGCSCF-AFPOMNJPSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.24
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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Related Compounds

(4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one
CID 11335171
trimethyl-[(E)-4-phenylpent-2-enyl]silane
CID 10889393
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
CID 101106671
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
(E)-2-prop-2-enyl-5-trimethylsilylpent-3-en-1-ol
CID 15248230
(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
CID 10679903
(1R,2S)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
CID 14787942
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498
(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
CID 14787941

Frequently Asked Questions

What is the IUPAC name of (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol?
The IUPAC name of (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol (CID 11335668) is (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol.
What is the SMILES notation for (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol?
The canonical SMILES for (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol is C=CCC(O)[C@@H](C)[C@@H](/C=C/C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol?
The InChIKey is PBUTXXCYNGCSCF-AFPOMNJPSA-N. The full InChI is InChI=1S/C19H30OSi/c1-6-11-19(20)16(2)18(14-10-15-21(3,4)5)17-12-8-7-9-13-17/h6-10,12-14,16,18-20H,1,11,15H2,2-5H3/b14-10+/t16-,18+,19?/m0/s1.
What are the key properties of (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol?
(5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol has a molecular weight of 302.53 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol is sourced from PubChem (CID 11335668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).