2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol

C11H20OSi — CID 54245932

IUPAC2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
SMILESCC(CO)CC=CC#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-11(10-12)8-6-5-7-9-13(2,3)4/h5-6,11-12H,8,10H2,1-4H3
InChIKeyQTGUJJNRPSIHKP-UHFFFAOYSA-N
MW196.37 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol

2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol (PubChem CID 54245932) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol.

Molecular Properties

Compound Name2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
PubChem CID54245932
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
SMILESCC(CO)CC=CC#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-11(10-12)8-6-5-7-9-13(2,3)4/h5-6,11-12H,8,10H2,1-4H3
InChIKeyQTGUJJNRPSIHKP-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.44
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

trimethyl-[(Z)-7-methyloct-3-en-1-ynyl]silane
CID 25135560
trimethyl-[(E)-6-trimethylsilyl(313C)hex-3-en-1,5-diynyl]silane
CID 101015650
hept-3-en-1-ynyl(trimethyl)silane
CID 71438831
(Z,2R,7S)-2-methyloct-4-ene-1,7-diol
CID 102067168
trimethyl-[(E)-tetradec-3-en-1-ynyl]silane
CID 14615393
(Z)-6-tri(propan-2-yl)silylhex-3-en-5-yn-1-ol
CID 138983015
(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
CID 130659352
(4E)-2,6-dimethylhepta-4,6-dien-1-ol
CID 130146963
2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol
CID 91084662
[(Z)-4-iodobut-3-en-1-ynyl]-trimethylsilane
CID 11817545
[(Z)-4-chlorobut-3-en-1-ynyl]-trimethylsilane
CID 10920792
(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol
CID 102227332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol?
The IUPAC name of 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol (CID 54245932) is 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol.
What is the SMILES notation for 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol?
The canonical SMILES for 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol is CC(CO)CC=CC#C[Si](C)(C)C.
What is the InChIKey of 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol?
The InChIKey is QTGUJJNRPSIHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-11(10-12)8-6-5-7-9-13(2,3)4/h5-6,11-12H,8,10H2,1-4H3.
What are the key properties of 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol?
2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol has a molecular weight of 196.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol is sourced from PubChem (CID 54245932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).