(Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal

C9H10O — CID 143108050

IUPAC(Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal
SMILESO=C/C=C\C1=CCCC=C1
InChIInChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h2,4-8H,1,3H2/b7-4-
InChIKeyRHJJQXHJWFWQFL-DAXSKMNVSA-N
MW134.18 g/mol
LogP2.02
Rot. Bonds2

About (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal

(Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal (PubChem CID 143108050) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal
PubChem CID143108050
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name(Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal
SMILESO=C/C=C\C1=CCCC=C1
InChIInChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h2,4-8H,1,3H2/b7-4-
InChIKeyRHJJQXHJWFWQFL-DAXSKMNVSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dienyl]aniline
CID 155273874
2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene
CID 143984358
1-(2-cyclohexa-1,5-dien-1-ylethenyl)-4-methylbenzene
CID 143018171
(1E,3E,7Z)-3-bromocycloocta-1,3,7-triene-1-carbaldehyde
CID 143700536
cyclohexa-1,5-dien-1-yl formate
CID 21076533
(2S)-2-aminopropanoic acid;cyclohexa-1,5-diene-1-carbaldehyde
CID 18641861
acetaldehyde;2-methylcyclohexa-1,3-diene
CID 144635088
(2S)-2-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-4-methoxy-2,3-dihydropyran-6-one
CID 57417017
1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde
CID 91507539
(1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene
CID 102473410
(E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine
CID 23381955
1-chloro-4-[(1Z,3Z)-1-cyclohexa-1,5-dien-1-yl-4-methylhexa-1,3-dien-3-yl]benzene
CID 89399672

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal?
The IUPAC name of (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal (CID 143108050) is (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal.
What is the SMILES notation for (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal?
The canonical SMILES for (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal is O=C/C=C\C1=CCCC=C1.
What is the InChIKey of (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal?
The InChIKey is RHJJQXHJWFWQFL-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h2,4-8H,1,3H2/b7-4-.
What are the key properties of (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal?
(Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal has a molecular weight of 134.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal is sourced from PubChem (CID 143108050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).