acetic acid;2-trimethylsilyltridec-1-en-3-ol

C18H38O3Si — CID 71385505

IUPACacetic acid;2-trimethylsilyltridec-1-en-3-ol
SMILESC=C(C(O)CCCCCCCCCC)[Si](C)(C)C.CC(=O)O
InChIInChI=1S/C16H34OSi.C2H4O2/c1-6-7-8-9-10-11-12-13-14-16(17)15(2)18(3,4)5;1-2(3)4/h16-17H,2,6-14H2,1,3-5H3;1H3,(H,3,4)
InChIKeyOIOILNWWVSRTSF-UHFFFAOYSA-N
MW330.59 g/mol
LogP5.40
Rot. Bonds11

About acetic acid;2-trimethylsilyltridec-1-en-3-ol

acetic acid;2-trimethylsilyltridec-1-en-3-ol (PubChem CID 71385505) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is acetic acid;2-trimethylsilyltridec-1-en-3-ol.

Molecular Properties

Compound Nameacetic acid;2-trimethylsilyltridec-1-en-3-ol
PubChem CID71385505
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Nameacetic acid;2-trimethylsilyltridec-1-en-3-ol
SMILESC=C(C(O)CCCCCCCCCC)[Si](C)(C)C.CC(=O)O
InChIInChI=1S/C16H34OSi.C2H4O2/c1-6-7-8-9-10-11-12-13-14-16(17)15(2)18(3,4)5;1-2(3)4/h16-17H,2,6-14H2,1,3-5H3;1H3,(H,3,4)
InChIKeyOIOILNWWVSRTSF-UHFFFAOYSA-N
XLogP5.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-trimethylsilyltridec-1-en-3-ol?
The IUPAC name of acetic acid;2-trimethylsilyltridec-1-en-3-ol (CID 71385505) is acetic acid;2-trimethylsilyltridec-1-en-3-ol.
What is the SMILES notation for acetic acid;2-trimethylsilyltridec-1-en-3-ol?
The canonical SMILES for acetic acid;2-trimethylsilyltridec-1-en-3-ol is C=C(C(O)CCCCCCCCCC)[Si](C)(C)C.CC(=O)O.
What is the InChIKey of acetic acid;2-trimethylsilyltridec-1-en-3-ol?
The InChIKey is OIOILNWWVSRTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi.C2H4O2/c1-6-7-8-9-10-11-12-13-14-16(17)15(2)18(3,4)5;1-2(3)4/h16-17H,2,6-14H2,1,3-5H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-trimethylsilyltridec-1-en-3-ol?
acetic acid;2-trimethylsilyltridec-1-en-3-ol has a molecular weight of 330.59 g/mol, XLogP of 5.40, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-trimethylsilyltridec-1-en-3-ol is sourced from PubChem (CID 71385505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).