(Z)-3,7-dimethyl-8-propoxyoct-6-enal

C13H24O2 — CID 175870944

IUPAC(Z)-3,7-dimethyl-8-propoxyoct-6-enal
SMILESCCCOC/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C13H24O2/c1-4-10-15-11-13(3)7-5-6-12(2)8-9-14/h7,9,12H,4-6,8,10-11H2,1-3H3/b13-7-
InChIKeyZGDLWJJNTVWDCO-QPEQYQDCSA-N
MW212.33 g/mol
LogP3.36
Rot. Bonds9

About (Z)-3,7-dimethyl-8-propoxyoct-6-enal

(Z)-3,7-dimethyl-8-propoxyoct-6-enal (PubChem CID 175870944) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (Z)-3,7-dimethyl-8-propoxyoct-6-enal.

Molecular Properties

Compound Name(Z)-3,7-dimethyl-8-propoxyoct-6-enal
PubChem CID175870944
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(Z)-3,7-dimethyl-8-propoxyoct-6-enal
SMILESCCCOC/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C13H24O2/c1-4-10-15-11-13(3)7-5-6-12(2)8-9-14/h7,9,12H,4-6,8,10-11H2,1-3H3/b13-7-
InChIKeyZGDLWJJNTVWDCO-QPEQYQDCSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.36
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 (Z)-3,7-dimethyl-8-propoxyoct-6-enal?
The IUPAC name of (Z)-3,7-dimethyl-8-propoxyoct-6-enal (CID 175870944) is (Z)-3,7-dimethyl-8-propoxyoct-6-enal.
What is the SMILES notation for (Z)-3,7-dimethyl-8-propoxyoct-6-enal?
The canonical SMILES for (Z)-3,7-dimethyl-8-propoxyoct-6-enal is CCCOC/C(C)=C\CCC(C)CC=O.
What is the InChIKey of (Z)-3,7-dimethyl-8-propoxyoct-6-enal?
The InChIKey is ZGDLWJJNTVWDCO-QPEQYQDCSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-10-15-11-13(3)7-5-6-12(2)8-9-14/h7,9,12H,4-6,8,10-11H2,1-3H3/b13-7-.
What are the key properties of (Z)-3,7-dimethyl-8-propoxyoct-6-enal?
(Z)-3,7-dimethyl-8-propoxyoct-6-enal has a molecular weight of 212.33 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-dimethyl-8-propoxyoct-6-enal is sourced from PubChem (CID 175870944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).