4-methoxy-2-methyloct-2-enal

C10H18O2 — CID 155908354

IUPAC4-methoxy-2-methyloct-2-enal
SMILESCCCCC(C=C(C)C=O)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-10(12-3)7-9(2)8-11/h7-8,10H,4-6H2,1-3H3
InChIKeyRTCHEAZARYSCOY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds6

About 4-methoxy-2-methyloct-2-enal

4-methoxy-2-methyloct-2-enal (PubChem CID 155908354) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methoxy-2-methyloct-2-enal.

Molecular Properties

Compound Name4-methoxy-2-methyloct-2-enal
PubChem CID155908354
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methoxy-2-methyloct-2-enal
SMILESCCCCC(C=C(C)C=O)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-10(12-3)7-9(2)8-11/h7-8,10H,4-6H2,1-3H3
InChIKeyRTCHEAZARYSCOY-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyloct-2-enal?
The IUPAC name of 4-methoxy-2-methyloct-2-enal (CID 155908354) is 4-methoxy-2-methyloct-2-enal.
What is the SMILES notation for 4-methoxy-2-methyloct-2-enal?
The canonical SMILES for 4-methoxy-2-methyloct-2-enal is CCCCC(C=C(C)C=O)OC.
What is the InChIKey of 4-methoxy-2-methyloct-2-enal?
The InChIKey is RTCHEAZARYSCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-10(12-3)7-9(2)8-11/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-2-methyloct-2-enal?
4-methoxy-2-methyloct-2-enal has a molecular weight of 170.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyloct-2-enal is sourced from PubChem (CID 155908354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).