(4Z,7Z)-deca-4,7,9-trienal

C10H14O — CID 88655120

IUPAC(4Z,7Z)-deca-4,7,9-trienal
SMILESC=C/C=C\C/C=C\CCC=O
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h2-4,6-7,10H,1,5,8-9H2/b4-3-,7-6-
InChIKeyXNGIXADMMBFYIY-CWWKMNTPSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds6

About (4Z,7Z)-deca-4,7,9-trienal

(4Z,7Z)-deca-4,7,9-trienal (PubChem CID 88655120) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (4Z,7Z)-deca-4,7,9-trienal.

Molecular Properties

Compound Name(4Z,7Z)-deca-4,7,9-trienal
PubChem CID88655120
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(4Z,7Z)-deca-4,7,9-trienal
SMILESC=C/C=C\C/C=C\CCC=O
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h2-4,6-7,10H,1,5,8-9H2/b4-3-,7-6-
InChIKeyXNGIXADMMBFYIY-CWWKMNTPSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,6E,10E)-dodeca-1,3,6,10-tetraene
CID 22236753
(E)-oct-4-enedial
CID 5283333
docosa-4,8,12,15,19-pentaenal
CID 54481142
dodeca-9,11-dienal
CID 543135
(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one
CID 22957036
(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
CID 102331083
nonadeca-10,13,16,18-tetraen-1-ol
CID 85304440
tetradeca-1,3,9,12-tetraene
CID 174407710
trideca-5,7,10,12-tetraen-2-one
CID 175909143
pent-4-enal
CID 16418
N-[(4E)-hepta-4,6-dienyl]formamide
CID 11521087
ethane;methane;(3Z,6Z)-octa-1,3,6-triene
CID 144530940

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z)-deca-4,7,9-trienal?
The IUPAC name of (4Z,7Z)-deca-4,7,9-trienal (CID 88655120) is (4Z,7Z)-deca-4,7,9-trienal.
What is the SMILES notation for (4Z,7Z)-deca-4,7,9-trienal?
The canonical SMILES for (4Z,7Z)-deca-4,7,9-trienal is C=C/C=C\C/C=C\CCC=O.
What is the InChIKey of (4Z,7Z)-deca-4,7,9-trienal?
The InChIKey is XNGIXADMMBFYIY-CWWKMNTPSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h2-4,6-7,10H,1,5,8-9H2/b4-3-,7-6-.
What are the key properties of (4Z,7Z)-deca-4,7,9-trienal?
(4Z,7Z)-deca-4,7,9-trienal has a molecular weight of 150.22 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z)-deca-4,7,9-trienal is sourced from PubChem (CID 88655120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).