(3Z,5Z)-3,5-dimethylocta-3,5-dienal

C10H16O — CID 142133897

IUPAC(3Z,5Z)-3,5-dimethylocta-3,5-dienal
SMILESCC/C=C(C)\C=C(\C)CC=O
InChIInChI=1S/C10H16O/c1-4-5-9(2)8-10(3)6-7-11/h5,7-8H,4,6H2,1-3H3/b9-5-,10-8-
InChIKeyZVWBDCFCGBQXFZ-UDRCNDPASA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds4

About (3Z,5Z)-3,5-dimethylocta-3,5-dienal

(3Z,5Z)-3,5-dimethylocta-3,5-dienal (PubChem CID 142133897) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z,5Z)-3,5-dimethylocta-3,5-dienal.

Molecular Properties

Compound Name(3Z,5Z)-3,5-dimethylocta-3,5-dienal
PubChem CID142133897
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3Z,5Z)-3,5-dimethylocta-3,5-dienal
SMILESCC/C=C(C)\C=C(\C)CC=O
InChIInChI=1S/C10H16O/c1-4-5-9(2)8-10(3)6-7-11/h5,7-8H,4,6H2,1-3H3/b9-5-,10-8-
InChIKeyZVWBDCFCGBQXFZ-UDRCNDPASA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethylocta-3,5-diene
CID 54471932
(E)-5-hydroxy-3-methylpent-3-enal
CID 88818950
2,4-dimethylhepta-2,4-dienamide
CID 90684610
(3E,5E)-3,5-dimethylocta-3,5-dien-1-yne
CID 24970719
(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal
CID 123615369
3-methyl-7-oxooct-3-enal
CID 91303199
2,3-dichloro-5-methylocta-1,3,5-triene
CID 123372962
(E)-5-hydroxy-3-methylhex-3-enal
CID 87292200
3-methylhexa-1,3-dien-1-ol
CID 154284508
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal
CID 24974009
ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
CID 172595101

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,5-dimethylocta-3,5-dienal?
The IUPAC name of (3Z,5Z)-3,5-dimethylocta-3,5-dienal (CID 142133897) is (3Z,5Z)-3,5-dimethylocta-3,5-dienal.
What is the SMILES notation for (3Z,5Z)-3,5-dimethylocta-3,5-dienal?
The canonical SMILES for (3Z,5Z)-3,5-dimethylocta-3,5-dienal is CC/C=C(C)\C=C(\C)CC=O.
What is the InChIKey of (3Z,5Z)-3,5-dimethylocta-3,5-dienal?
The InChIKey is ZVWBDCFCGBQXFZ-UDRCNDPASA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-9(2)8-10(3)6-7-11/h5,7-8H,4,6H2,1-3H3/b9-5-,10-8-.
What are the key properties of (3Z,5Z)-3,5-dimethylocta-3,5-dienal?
(3Z,5Z)-3,5-dimethylocta-3,5-dienal has a molecular weight of 152.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,5-dimethylocta-3,5-dienal is sourced from PubChem (CID 142133897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).