cyclohexane-1,4-dicarbaldehyde;ethene

C10H16O2 — CID 155579013

IUPACcyclohexane-1,4-dicarbaldehyde;ethene
SMILESC=C.O=CC1CCC(C=O)CC1
InChIInChI=1S/C8H12O2.C2H4/c9-5-7-1-2-8(6-10)4-3-7;1-2/h5-8H,1-4H2;1-2H2
InChIKeyGOQOVYPOHKRKGQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.99
Rot. Bonds2

About cyclohexane-1,4-dicarbaldehyde;ethene

cyclohexane-1,4-dicarbaldehyde;ethene (PubChem CID 155579013) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclohexane-1,4-dicarbaldehyde;ethene.

Molecular Properties

Compound Namecyclohexane-1,4-dicarbaldehyde;ethene
PubChem CID155579013
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecyclohexane-1,4-dicarbaldehyde;ethene
SMILESC=C.O=CC1CCC(C=O)CC1
InChIInChI=1S/C8H12O2.C2H4/c9-5-7-1-2-8(6-10)4-3-7;1-2/h5-8H,1-4H2;1-2H2
InChIKeyGOQOVYPOHKRKGQ-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-dicarbaldehyde;ethene?
The IUPAC name of cyclohexane-1,4-dicarbaldehyde;ethene (CID 155579013) is cyclohexane-1,4-dicarbaldehyde;ethene.
What is the SMILES notation for cyclohexane-1,4-dicarbaldehyde;ethene?
The canonical SMILES for cyclohexane-1,4-dicarbaldehyde;ethene is C=C.O=CC1CCC(C=O)CC1.
What is the InChIKey of cyclohexane-1,4-dicarbaldehyde;ethene?
The InChIKey is GOQOVYPOHKRKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C2H4/c9-5-7-1-2-8(6-10)4-3-7;1-2/h5-8H,1-4H2;1-2H2.
What are the key properties of cyclohexane-1,4-dicarbaldehyde;ethene?
cyclohexane-1,4-dicarbaldehyde;ethene has a molecular weight of 168.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-dicarbaldehyde;ethene is sourced from PubChem (CID 155579013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).