propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol

C13H24O3Si — CID 71409352

IUPACpropanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol
SMILESC=CC(O)CCC#C[Si](C)(C)C.CCC(=O)O
InChIInChI=1S/C10H18OSi.C3H6O2/c1-5-10(11)8-6-7-9-12(2,3)4;1-2-3(4)5/h5,10-11H,1,6,8H2,2-4H3;2H2,1H3,(H,4,5)
InChIKeyOYWHIBGHJUPHPX-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.68
Rot. Bonds4

About propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol

propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol (PubChem CID 71409352) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol.

Molecular Properties

Compound Namepropanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol
PubChem CID71409352
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namepropanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol
SMILESC=CC(O)CCC#C[Si](C)(C)C.CCC(=O)O
InChIInChI=1S/C10H18OSi.C3H6O2/c1-5-10(11)8-6-7-9-12(2,3)4;1-2-3(4)5/h5,10-11H,1,6,8H2,2-4H3;2H2,1H3,(H,4,5)
InChIKeyOYWHIBGHJUPHPX-UHFFFAOYSA-N
XLogP2.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

oct-1-en-3-ol;propanoic acid
CID 57351786
oct-1-en-6-yn-3-ol
CID 22756287
acetic acid;octa-1,6-dien-3-ol
CID 161210848
buta-1,3-diene;propanoic acid
CID 175603482
(2R)-2-hydroxy-5-trimethylsilylpent-4-ynal
CID 89079207
(9R)-9-hydroxyundec-10-enoic acid
CID 24874221
(9S)-9-hydroxyundec-10-enoic acid
CID 73242170
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
(4S)-2-(chloromethyl)-8-trimethylsilyloct-1-en-7-yn-4-ol
CID 11149240
1-trimethylsilylundec-1-yn-6-one
CID 176819872
1-chloro-6-trimethylsilylhex-5-yn-2-one
CID 86086771
6-hydroxy-8-trimethylsilyloct-7-ynoic acid
CID 174052538

Frequently Asked Questions

What is the IUPAC name of propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol?
The IUPAC name of propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol (CID 71409352) is propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol.
What is the SMILES notation for propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol?
The canonical SMILES for propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol is C=CC(O)CCC#C[Si](C)(C)C.CCC(=O)O.
What is the InChIKey of propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol?
The InChIKey is OYWHIBGHJUPHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OSi.C3H6O2/c1-5-10(11)8-6-7-9-12(2,3)4;1-2-3(4)5/h5,10-11H,1,6,8H2,2-4H3;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol?
propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol has a molecular weight of 256.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;7-trimethylsilylhept-1-en-6-yn-3-ol is sourced from PubChem (CID 71409352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).