(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one

C18H34O2Si2 — CID 159188451

IUPAC(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one
SMILESCC(C)C(=O)C#C[Si](C)(C)C.CC(C)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi.C9H16OSi/c2*1-8(2)9(10)6-7-11(3,4)5/h8-10H,1-5H3;8H,1-5H3/t9-;/m0./s1
InChIKeyKNUAVMFQAZKCMQ-FVGYRXGTSA-N
MW338.64 g/mol
LogP3.98
Rot. Bonds2

About (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one

(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one (PubChem CID 159188451) has the molecular formula C18H34O2Si2 and a molecular weight of 338.64 g/mol. Its IUPAC name is (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one.

Molecular Properties

Compound Name(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one
PubChem CID159188451
Molecular FormulaC18H34O2Si2
Molecular Weight338.64 g/mol
Exact Mass338.21
IUPAC Name(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one
SMILESCC(C)C(=O)C#C[Si](C)(C)C.CC(C)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi.C9H16OSi/c2*1-8(2)9(10)6-7-11(3,4)5/h8-10H,1-5H3;8H,1-5H3/t9-;/m0./s1
InChIKeyKNUAVMFQAZKCMQ-FVGYRXGTSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-methyl-1-trimethylsilylhex-1-yn-3-one
CID 13202853
(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
CID 14084682
6,6-diethoxy-2-methylhex-4-yn-3-ol;6,6-diethoxy-2-methylhex-4-yn-3-one
CID 161333237
(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
CID 130659352
(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide
CID 11817385
(3S,4S)-1-trimethylsilylhept-6-en-1-yne-3,4-diol
CID 102124553
3-trimethylsilylprop-2-ynoic acid
CID 2760863
3-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647
4,4-dimethyl-1-trimethylsilylpent-1-yn-3-one
CID 12529654
6-chloro-2-methylhept-4-yn-3-one
CID 10583066
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one?
The IUPAC name of (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one (CID 159188451) is (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one.
What is the SMILES notation for (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one?
The canonical SMILES for (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one is CC(C)C(=O)C#C[Si](C)(C)C.CC(C)[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one?
The InChIKey is KNUAVMFQAZKCMQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H18OSi.C9H16OSi/c2*1-8(2)9(10)6-7-11(3,4)5/h8-10H,1-5H3;8H,1-5H3/t9-;/m0./s1.
What are the key properties of (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one?
(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one has a molecular weight of 338.64 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one is sourced from PubChem (CID 159188451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).