cyclohepta-1,3,5-triene-1,3-dicarbaldehyde

C9H8O2 — CID 142377844

IUPACcyclohepta-1,3,5-triene-1,3-dicarbaldehyde
SMILESO=CC1=CC=CCC(C=O)=C1
InChIInChI=1S/C9H8O2/c10-6-8-3-1-2-4-9(5-8)7-11/h1-3,5-7H,4H2
InChIKeyZXGUGOOVZISWRF-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.20
Rot. Bonds2

About cyclohepta-1,3,5-triene-1,3-dicarbaldehyde

cyclohepta-1,3,5-triene-1,3-dicarbaldehyde (PubChem CID 142377844) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is cyclohepta-1,3,5-triene-1,3-dicarbaldehyde.

Molecular Properties

Compound Namecyclohepta-1,3,5-triene-1,3-dicarbaldehyde
PubChem CID142377844
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Namecyclohepta-1,3,5-triene-1,3-dicarbaldehyde
SMILESO=CC1=CC=CCC(C=O)=C1
InChIInChI=1S/C9H8O2/c10-6-8-3-1-2-4-9(5-8)7-11/h1-3,5-7H,4H2
InChIKeyZXGUGOOVZISWRF-UHFFFAOYSA-N
XLogP1.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(oxomethylidene)cyclohexa-1,4-diene-1-carbaldehyde
CID 56614668
(5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde
CID 176526109
6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 22726424
1,1\'-Ferrocenedicarboxaldehyde
CID 11770601
5-hydroxycyclohexa-1,3-diene-1,3,5-tricarbaldehyde
CID 175513369
3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene
CID 18343923
cycloundeca-1,3-diene-1-carbaldehyde
CID 91339803
acetaldehyde;ethane;1-methylcyclopenta-1,3-diene
CID 91150107
N,N-di(cyclopenta-1,3-dien-1-yl)formamide
CID 22486733
3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid
CID 54195242
1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
CID 154710057
(2E,6Z)-2,6-bis(cyclopenta-1,3-dien-1-ylmethylidene)cyclohexan-1-one
CID 177495659

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-triene-1,3-dicarbaldehyde?
The IUPAC name of cyclohepta-1,3,5-triene-1,3-dicarbaldehyde (CID 142377844) is cyclohepta-1,3,5-triene-1,3-dicarbaldehyde.
What is the SMILES notation for cyclohepta-1,3,5-triene-1,3-dicarbaldehyde?
The canonical SMILES for cyclohepta-1,3,5-triene-1,3-dicarbaldehyde is O=CC1=CC=CCC(C=O)=C1.
What is the InChIKey of cyclohepta-1,3,5-triene-1,3-dicarbaldehyde?
The InChIKey is ZXGUGOOVZISWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-6-8-3-1-2-4-9(5-8)7-11/h1-3,5-7H,4H2.
What are the key properties of cyclohepta-1,3,5-triene-1,3-dicarbaldehyde?
cyclohepta-1,3,5-triene-1,3-dicarbaldehyde has a molecular weight of 148.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,5-triene-1,3-dicarbaldehyde is sourced from PubChem (CID 142377844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).