2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol

C12H22OSi — CID 11106648

IUPAC2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol
SMILESC=C(C)C(O)CCC#CC[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-11(2)12(13)9-7-6-8-10-14(3,4)5/h12-13H,1,7,9-10H2,2-5H3
InChIKeyKHGHNGXJILCDOD-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol

2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol (PubChem CID 11106648) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol.

Molecular Properties

Compound Name2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol
PubChem CID11106648
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol
SMILESC=C(C)C(O)CCC#CC[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-11(2)12(13)9-7-6-8-10-14(3,4)5/h12-13H,1,7,9-10H2,2-5H3
InChIKeyKHGHNGXJILCDOD-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(R)-2-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 10932039
2-Methyloct-1-en-6-yn-3-ol
CID 12653929
(3S,5R)-7-(Trimethylsilyl)hept-1-en-6-yne-3,5-diol
CID 56924135
5-(Trimethylsilylmethyl)hex-5-en-2-ol
CID 11030538
2-Methylidene-6-trimethylsilylhex-5-yn-1-ol
CID 11557392
5-(Trimethylsilylmethyl)hex-5-en-3-ol
CID 12930293
(5R,6R)-2,6-dimethyl-6-trimethylsilylnona-2,3-dien-7-yn-5-ol
CID 15721119
(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
CID 15721123
2,4-Bis(trimethylsilylmethyl)penta-1,4-dien-3-ol
CID 86000456
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
(5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol
CID 102200295
(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
CID 122380458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol?
The IUPAC name of 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol (CID 11106648) is 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol.
What is the SMILES notation for 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol?
The canonical SMILES for 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol is C=C(C)C(O)CCC#CC[Si](C)(C)C.
What is the InChIKey of 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol?
The InChIKey is KHGHNGXJILCDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-11(2)12(13)9-7-6-8-10-14(3,4)5/h12-13H,1,7,9-10H2,2-5H3.
What are the key properties of 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol?
2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol has a molecular weight of 210.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-trimethylsilyloct-1-en-6-yn-3-ol is sourced from PubChem (CID 11106648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).