4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde

C10H12O2 — CID 89093143

IUPAC4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
SMILESC=CCOC1=CC=C(C=O)CC1
InChIInChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-3,5,8H,1,4,6-7H2
InChIKeyVGDQDHAHGXRSCH-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.99
Rot. Bonds4

About 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde

4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 89093143) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
PubChem CID89093143
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
SMILESC=CCOC1=CC=C(C=O)CC1
InChIInChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-3,5,8H,1,4,6-7H2
InChIKeyVGDQDHAHGXRSCH-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
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 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde (CID 89093143) is 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde is C=CCOC1=CC=C(C=O)CC1.
What is the InChIKey of 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is VGDQDHAHGXRSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-3,5,8H,1,4,6-7H2.
What are the key properties of 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde?
4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 89093143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).