(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol

C10H16OSi — CID 124706922

IUPAC(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol
SMILESC#CCC[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-5-6-7-10(11)8-9-12(2,3)4/h1,10-11H,6-7H2,2-4H3/t10-/m1/s1
InChIKeyBEUFHFQQGKXUFB-SNVBAGLBSA-N
MW180.32 g/mol
LogP1.64
Rot. Bonds2

About (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol

(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol (PubChem CID 124706922) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol.

Molecular Properties

Compound Name(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol
PubChem CID124706922
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol
SMILESC#CCC[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-5-6-7-10(11)8-9-12(2,3)4/h1,10-11H,6-7H2,2-4H3/t10-/m1/s1
InChIKeyBEUFHFQQGKXUFB-SNVBAGLBSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 51.64
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'}

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Related Compounds

5-Trimethylsilyl-4-pentyn-1-ol
CID 2760861
6-(Trimethylsilyl)hex-4-yn-1-ol
CID 13434250
1-Trimethylsilylpent-1-yn-3-ol
CID 357809
6-(Trimethylsilyl)hex-5-yn-1-ol
CID 10877568
5-Trimethylsilylpent-4-yn-2-ol
CID 11073669
(3S)-1-trimethylsilyloct-1-yn-3-ol
CID 12447768
1-Fluoro-6-trimethylsilylhex-4-yn-2-ol
CID 166443618
6-Trimethylsilylhex-5-yn-3-ol
CID 10821058
8-Trimethylsilylocta-5,7-diyn-1-ol
CID 11298503
(S)-1-(trimethylsilyl)hept-1-yn-3-ol
CID 12623485
4-Pentyn-1-ol, 5-[tris(1-methylethyl)silyl]-
CID 14060629
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854

Frequently Asked Questions

What is the IUPAC name of (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol?
The IUPAC name of (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol (CID 124706922) is (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol.
What is the SMILES notation for (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol?
The canonical SMILES for (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol is C#CCC[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol?
The InChIKey is BEUFHFQQGKXUFB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16OSi/c1-5-6-7-10(11)8-9-12(2,3)4/h1,10-11H,6-7H2,2-4H3/t10-/m1/s1.
What are the key properties of (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol?
(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol has a molecular weight of 180.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-trimethylsilylhepta-1,6-diyn-3-ol is sourced from PubChem (CID 124706922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).