(E)-5-methoxy-5-methyldec-3-enal

C12H22O2 — CID 87291144

IUPAC(E)-5-methoxy-5-methyldec-3-enal
SMILESCCCCCC(C)(/C=C/CC=O)OC
InChIInChI=1S/C12H22O2/c1-4-5-6-9-12(2,14-3)10-7-8-11-13/h7,10-11H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyVILIQKHZWYMDJH-JXMROGBWSA-N
MW198.31 g/mol
LogP3.12
Rot. Bonds8

About (E)-5-methoxy-5-methyldec-3-enal

(E)-5-methoxy-5-methyldec-3-enal (PubChem CID 87291144) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-5-methoxy-5-methyldec-3-enal.

Molecular Properties

Compound Name(E)-5-methoxy-5-methyldec-3-enal
PubChem CID87291144
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-5-methoxy-5-methyldec-3-enal
SMILESCCCCCC(C)(/C=C/CC=O)OC
InChIInChI=1S/C12H22O2/c1-4-5-6-9-12(2,14-3)10-7-8-11-13/h7,10-11H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyVILIQKHZWYMDJH-JXMROGBWSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-5-methyldec-3-enal?
The IUPAC name of (E)-5-methoxy-5-methyldec-3-enal (CID 87291144) is (E)-5-methoxy-5-methyldec-3-enal.
What is the SMILES notation for (E)-5-methoxy-5-methyldec-3-enal?
The canonical SMILES for (E)-5-methoxy-5-methyldec-3-enal is CCCCCC(C)(/C=C/CC=O)OC.
What is the InChIKey of (E)-5-methoxy-5-methyldec-3-enal?
The InChIKey is VILIQKHZWYMDJH-JXMROGBWSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-9-12(2,14-3)10-7-8-11-13/h7,10-11H,4-6,8-9H2,1-3H3/b10-7+.
What are the key properties of (E)-5-methoxy-5-methyldec-3-enal?
(E)-5-methoxy-5-methyldec-3-enal has a molecular weight of 198.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-5-methyldec-3-enal is sourced from PubChem (CID 87291144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).