(E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol

C24H31NOSi — CID 11188094

IUPAC(E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESC/C=C/[C@H](O)[C@@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NOSi/c1-5-12-24(26)23(17-18-27(2,3)4)25(19-21-13-8-6-9-14-21)20-22-15-10-7-11-16-22/h5-16,23-24,26H,19-20H2,1-4H3/b12-5+/t23-,24+/m1/s1
InChIKeyDSUQEGGNNNDANA-TXEACKABSA-N
MW377.60 g/mol
LogP4.88
Rot. Bonds7

About (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol

(E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol (PubChem CID 11188094) has the molecular formula C24H31NOSi and a molecular weight of 377.60 g/mol. Its IUPAC name is (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol
PubChem CID11188094
Molecular FormulaC24H31NOSi
Molecular Weight377.60 g/mol
Exact Mass377.22
IUPAC Name(E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESC/C=C/[C@H](O)[C@@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NOSi/c1-5-12-24(26)23(17-18-27(2,3)4)25(19-21-13-8-6-9-14-21)20-22-15-10-7-11-16-22/h5-16,23-24,26H,19-20H2,1-4H3/b12-5+/t23-,24+/m1/s1
InChIKeyDSUQEGGNNNDANA-TXEACKABSA-N
XLogP4.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.88
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol
CID 10517107
(S)-(+)-2-(Dibenzylamino)-1-propanol
CID 11436768
2-Propanol, (1-dibenzylamino)-, hydrochloride
CID 3051471
(S)-2-(N,N-Dibenzylamino)-3-methylbutanol
CID 13949606
2-(Dibenzylamino)-2-methylpropan-1-ol
CID 67135623
(2R)-2-(dibenzylamino)butan-1-ol
CID 57400222
(E)-1-(dibenzylamino)-4-phenylbut-3-en-2-ol
CID 145961729
1-(Dibenzylamino)propan-2-ol
CID 3051472
(2R)-2-(Dibenzylamino)propan-1-ol
CID 13949605
2-(Dibenzylamino)propan-1-ol
CID 563465
(3R,4S)-4-(dibenzylamino)-2-fluoro-2,5-dimethylhexan-3-ol
CID 53343018
(2R)-1-(dibenzylamino)-3-fluoro-3-methylbutan-2-ol
CID 135004516

Frequently Asked Questions

What is the IUPAC name of (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol?
The IUPAC name of (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol (CID 11188094) is (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol.
What is the SMILES notation for (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol?
The canonical SMILES for (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol is C/C=C/[C@H](O)[C@@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol?
The InChIKey is DSUQEGGNNNDANA-TXEACKABSA-N. The full InChI is InChI=1S/C24H31NOSi/c1-5-12-24(26)23(17-18-27(2,3)4)25(19-21-13-8-6-9-14-21)20-22-15-10-7-11-16-22/h5-16,23-24,26H,19-20H2,1-4H3/b12-5+/t23-,24+/m1/s1.
What are the key properties of (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol?
(E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol has a molecular weight of 377.60 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4S)-3-(dibenzylamino)-1-trimethylsilylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 11188094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).