(E)-12-hydroxydodec-2-enal

C12H22O2 — CID 14168622

IUPAC(E)-12-hydroxydodec-2-enal
SMILESO=C/C=C/CCCCCCCCCO
InChIInChI=1S/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9,11,14H,1-6,8,10,12H2/b9-7+
InChIKeyVANMWMOUFDXLSZ-VQHVLOKHSA-N
MW198.31 g/mol
LogP2.85
Rot. Bonds10

About (E)-12-hydroxydodec-2-enal

(E)-12-hydroxydodec-2-enal (PubChem CID 14168622) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-12-hydroxydodec-2-enal.

Molecular Properties

Compound Name(E)-12-hydroxydodec-2-enal
PubChem CID14168622
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-12-hydroxydodec-2-enal
SMILESO=C/C=C/CCCCCCCCCO
InChIInChI=1S/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9,11,14H,1-6,8,10,12H2/b9-7+
InChIKeyVANMWMOUFDXLSZ-VQHVLOKHSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-12-hydroxydodec-2-enal?
The IUPAC name of (E)-12-hydroxydodec-2-enal (CID 14168622) is (E)-12-hydroxydodec-2-enal.
What is the SMILES notation for (E)-12-hydroxydodec-2-enal?
The canonical SMILES for (E)-12-hydroxydodec-2-enal is O=C/C=C/CCCCCCCCCO.
What is the InChIKey of (E)-12-hydroxydodec-2-enal?
The InChIKey is VANMWMOUFDXLSZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9,11,14H,1-6,8,10,12H2/b9-7+.
What are the key properties of (E)-12-hydroxydodec-2-enal?
(E)-12-hydroxydodec-2-enal has a molecular weight of 198.31 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-hydroxydodec-2-enal is sourced from PubChem (CID 14168622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).