acetic acid;dec-5-en-1-ol

C12H24O3 — CID 71341047

IUPACacetic acid;dec-5-en-1-ol
SMILESCC(=O)O.CCCCC=CCCCCO
InChIInChI=1S/C10H20O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11;1-2(3)4/h5-6,11H,2-4,7-10H2,1H3;1H3,(H,3,4)
InChIKeyUBRLFHUUTKEWSX-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.99
Rot. Bonds7

About acetic acid;dec-5-en-1-ol

acetic acid;dec-5-en-1-ol (PubChem CID 71341047) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is acetic acid;dec-5-en-1-ol.

Molecular Properties

Compound Nameacetic acid;dec-5-en-1-ol
PubChem CID71341047
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nameacetic acid;dec-5-en-1-ol
SMILESCC(=O)O.CCCCC=CCCCCO
InChIInChI=1S/C10H20O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11;1-2(3)4/h5-6,11H,2-4,7-10H2,1H3;1H3,(H,3,4)
InChIKeyUBRLFHUUTKEWSX-UHFFFAOYSA-N
XLogP2.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;dec-5-en-1-ol?
The IUPAC name of acetic acid;dec-5-en-1-ol (CID 71341047) is acetic acid;dec-5-en-1-ol.
What is the SMILES notation for acetic acid;dec-5-en-1-ol?
The canonical SMILES for acetic acid;dec-5-en-1-ol is CC(=O)O.CCCCC=CCCCCO.
What is the InChIKey of acetic acid;dec-5-en-1-ol?
The InChIKey is UBRLFHUUTKEWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11;1-2(3)4/h5-6,11H,2-4,7-10H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;dec-5-en-1-ol?
acetic acid;dec-5-en-1-ol has a molecular weight of 216.32 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;dec-5-en-1-ol is sourced from PubChem (CID 71341047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).