(3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol

C13H26OSi — CID 10656884

IUPAC(3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(C)[C@@H](O)[C@@H](C#C[Si](C)(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-10(2)12(13(14)11(3)4)8-9-15(5,6)7/h10-14H,1-7H3/t12-,13+/m0/s1
InChIKeyYIDDXNVTWCOSKY-QWHCGFSZSA-N
MW226.44 g/mol
LogP3.16
Rot. Bonds3

About (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol

(3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 10656884) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name(3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID10656884
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(C)[C@@H](O)[C@@H](C#C[Si](C)(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-10(2)12(13(14)11(3)4)8-9-15(5,6)7/h10-14H,1-7H3/t12-,13+/m0/s1
InChIKeyYIDDXNVTWCOSKY-QWHCGFSZSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclopropyl-3-(trimethylsilyl)prop-2-yn-1-ol
CID 22180837
(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
2-Methyl-2-trimethylsilylnon-3-yn-5-ol
CID 10466273
2-Methyl-7-trimethylsilylhept-5-yn-3-ol
CID 12169943
(3R,4S)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162766
(3R,4R)-2-methyl-4-trimethylsilylhept-5-yn-3-ol
CID 130710393
(3R,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 134963596
(3S,4R)-2,2,4-trimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 134963613
3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol
CID 135036869
(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
CID 138980914
(3S,4S)-1-cyclopropyl-3-trimethylsilylhept-1-yn-4-ol
CID 166438947
(3S,4S)-2-methyl-4-trimethylsilylhept-5-yn-3-ol
CID 166439057

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol (CID 10656884) is (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol is CC(C)[C@@H](O)[C@@H](C#C[Si](C)(C)C)C(C)C.
What is the InChIKey of (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is YIDDXNVTWCOSKY-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H26OSi/c1-10(2)12(13(14)11(3)4)8-9-15(5,6)7/h10-14H,1-7H3/t12-,13+/m0/s1.
What are the key properties of (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol?
(3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 226.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 10656884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).