(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol

C17H28OSi — CID 101106671

IUPAC(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
SMILESC[C@H](/C=C/C[Si](C)(C)C)[C@H](O)CCc1ccccc1
InChIInChI=1S/C17H28OSi/c1-15(9-8-14-19(2,3)4)17(18)13-12-16-10-6-5-7-11-16/h5-11,15,17-18H,12-14H2,1-4H3/b9-8+/t15-,17-/m1/s1
InChIKeyIXNOVIHPCLFACG-PJZFAXFVSA-N
MW276.50 g/mol
LogP4.51
Rot. Bonds7

About (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol

(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol (PubChem CID 101106671) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol.

Molecular Properties

Compound Name(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
PubChem CID101106671
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
SMILESC[C@H](/C=C/C[Si](C)(C)C)[C@H](O)CCc1ccccc1
InChIInChI=1S/C17H28OSi/c1-15(9-8-14-19(2,3)4)17(18)13-12-16-10-6-5-7-11-16/h5-11,15,17-18H,12-14H2,1-4H3/b9-8+/t15-,17-/m1/s1
InChIKeyIXNOVIHPCLFACG-PJZFAXFVSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.51
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

(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol
CID 71658091
(E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol
CID 102275586
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
CID 101011502
tert-butyl (E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-2-enoate
CID 102465462
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
(4S,5R)-5-hydroxy-4-methyl-7-phenylheptan-3-one
CID 11042266
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693

Frequently Asked Questions

What is the IUPAC name of (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol?
The IUPAC name of (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol (CID 101106671) is (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol.
What is the SMILES notation for (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol?
The canonical SMILES for (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol is C[C@H](/C=C/C[Si](C)(C)C)[C@H](O)CCc1ccccc1.
What is the InChIKey of (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol?
The InChIKey is IXNOVIHPCLFACG-PJZFAXFVSA-N. The full InChI is InChI=1S/C17H28OSi/c1-15(9-8-14-19(2,3)4)17(18)13-12-16-10-6-5-7-11-16/h5-11,15,17-18H,12-14H2,1-4H3/b9-8+/t15-,17-/m1/s1.
What are the key properties of (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol?
(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol has a molecular weight of 276.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol is sourced from PubChem (CID 101106671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).