4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol

C13H25ClOSi — CID 134880592

IUPAC4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(C)C(O)(C(C)C)C(Cl)C#C[Si](C)(C)C
InChIInChI=1S/C13H25ClOSi/c1-10(2)13(15,11(3)4)12(14)8-9-16(5,6)7/h10-12,15H,1-7H3
InChIKeyJCDMOPOYCOHKNX-UHFFFAOYSA-N
MW260.88 g/mol
LogP3.52
Rot. Bonds3

About 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol

4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 134880592) has the molecular formula C13H25ClOSi and a molecular weight of 260.88 g/mol. Its IUPAC name is 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID134880592
Molecular FormulaC13H25ClOSi
Molecular Weight260.88 g/mol
Exact Mass260.14
IUPAC Name4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol
SMILESCC(C)C(O)(C(C)C)C(Cl)C#C[Si](C)(C)C
InChIInChI=1S/C13H25ClOSi/c1-10(2)13(15,11(3)4)12(14)8-9-16(5,6)7/h10-12,15H,1-7H3
InChIKeyJCDMOPOYCOHKNX-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
CID 14084682
(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
CID 130659352
1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
CID 10955814
2,2,3-trimethyl-5-trimethylsilylpent-4-yn-1-amine
CID 100943521
(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one
CID 159188451
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
(S)-N,2-dimethyl-N-[(3S)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide
CID 59197567
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
2-amino-4-methyl-3-propan-2-ylpentan-3-ol
CID 18373819
(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 159934607
3,5-dimethylhept-1-ynyl(trimethyl)silane
CID 58467900
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol (CID 134880592) is 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol is CC(C)C(O)(C(C)C)C(Cl)C#C[Si](C)(C)C.
What is the InChIKey of 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is JCDMOPOYCOHKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClOSi/c1-10(2)13(15,11(3)4)12(14)8-9-16(5,6)7/h10-12,15H,1-7H3.
What are the key properties of 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol?
4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 260.88 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 134880592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).