(4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone

C10H10O2 — CID 18707346

IUPAC(4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone
SMILESC=CCOC1=CCC(=C=O)C=C1
InChIInChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-3,5-6H,1,4,7H2
InChIKeyPUQCACDAONTBJH-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.79
Rot. Bonds3

About (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone

(4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 18707346) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID18707346
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone
SMILESC=CCOC1=CCC(=C=O)C=C1
InChIInChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-3,5-6H,1,4,7H2
InChIKeyPUQCACDAONTBJH-UHFFFAOYSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone (CID 18707346) is (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone is C=CCOC1=CCC(=C=O)C=C1.
What is the InChIKey of (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is PUQCACDAONTBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-3,5-6H,1,4,7H2.
What are the key properties of (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone?
(4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 162.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxycyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 18707346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).