(3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol

C24H31NOSi — CID 11337892

IUPAC(3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol
SMILESC=C(C)[C@@H](O)[C@@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NOSi/c1-20(2)24(26)23(16-17-27(3,4)5)25(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23-24,26H,1,18-19H2,2-5H3/t23-,24-/m1/s1
InChIKeyBALCJDRJXPRKFV-DNQXCXABSA-N
MW377.60 g/mol
LogP4.88
Rot. Bonds7

About (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol

(3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol (PubChem CID 11337892) has the molecular formula C24H31NOSi and a molecular weight of 377.60 g/mol. Its IUPAC name is (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol
PubChem CID11337892
Molecular FormulaC24H31NOSi
Molecular Weight377.60 g/mol
Exact Mass377.22
IUPAC Name(3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol
SMILESC=C(C)[C@@H](O)[C@@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NOSi/c1-20(2)24(26)23(16-17-27(3,4)5)25(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23-24,26H,1,18-19H2,2-5H3/t23-,24-/m1/s1
InChIKeyBALCJDRJXPRKFV-DNQXCXABSA-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

(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
CID 102502700
(3S,4R)-4-(dibenzylamino)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101257956
(2S,4S,5R)-2-(dibenzylamino)-5-hydroxy-4,6-dimethylhept-6-en-3-one
CID 11348713
(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine
CID 11473957
(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one
CID 102384335
1-phenyl-N,N-bis(trimethylsilyl)methanamine
CID 616728
N-benzyl-5-trimethylsilyl-N-(5-trimethylsilylpenta-2,4-diynyl)penta-2,4-diyn-1-amine
CID 59398634
5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
CID 57078353
(2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine
CID 102463026
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
(2R,3S)-2-(dibenzylamino)-3-hydroxyheptanenitrile
CID 10860250

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol?
The IUPAC name of (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol (CID 11337892) is (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol.
What is the SMILES notation for (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol?
The canonical SMILES for (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol is C=C(C)[C@@H](O)[C@@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol?
The InChIKey is BALCJDRJXPRKFV-DNQXCXABSA-N. The full InChI is InChI=1S/C24H31NOSi/c1-20(2)24(26)23(16-17-27(3,4)5)25(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23-24,26H,1,18-19H2,2-5H3/t23-,24-/m1/s1.
What are the key properties of (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol?
(3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-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 (3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol is sourced from PubChem (CID 11337892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).