(5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal

C13H20O — CID 131979023

IUPAC(5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal
SMILESC=C(/C=C\C(C)=C/C)C(C)(C)CC=O
InChIInChI=1S/C13H20O/c1-6-11(2)7-8-12(3)13(4,5)9-10-14/h6-8,10H,3,9H2,1-2,4-5H3/b8-7-,11-6-
InChIKeyTUADCVTWBIASAS-QHLNICISSA-N
MW192.30 g/mol
LogP3.68
Rot. Bonds5

About (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal

(5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal (PubChem CID 131979023) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal.

Molecular Properties

Compound Name(5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal
PubChem CID131979023
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal
SMILESC=C(/C=C\C(C)=C/C)C(C)(C)CC=O
InChIInChI=1S/C13H20O/c1-6-11(2)7-8-12(3)13(4,5)9-10-14/h6-8,10H,3,9H2,1-2,4-5H3/b8-7-,11-6-
InChIKeyTUADCVTWBIASAS-QHLNICISSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal?
The IUPAC name of (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal (CID 131979023) is (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal.
What is the SMILES notation for (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal?
The canonical SMILES for (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal is C=C(/C=C\C(C)=C/C)C(C)(C)CC=O.
What is the InChIKey of (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal?
The InChIKey is TUADCVTWBIASAS-QHLNICISSA-N. The full InChI is InChI=1S/C13H20O/c1-6-11(2)7-8-12(3)13(4,5)9-10-14/h6-8,10H,3,9H2,1-2,4-5H3/b8-7-,11-6-.
What are the key properties of (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal?
(5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal has a molecular weight of 192.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-3,3,7-trimethyl-4-methylidenenona-5,7-dienal is sourced from PubChem (CID 131979023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).