chromene-2,2,3,3,4,4-hexacarbaldehyde

C15H10O7 — CID 175747771

IUPACchromene-2,2,3,3,4,4-hexacarbaldehyde
SMILESO=CC1(C=O)Oc2ccccc2C(C=O)(C=O)C1(C=O)C=O
InChIInChI=1S/C15H10O7/c16-5-13(6-17)11-3-1-2-4-12(11)22-15(9-20,10-21)14(13,7-18)8-19/h1-10H
InChIKeyNWDAWGILZULIGO-UHFFFAOYSA-N
MW302.24 g/mol
LogP-0.76
Rot. Bonds6

About chromene-2,2,3,3,4,4-hexacarbaldehyde

chromene-2,2,3,3,4,4-hexacarbaldehyde (PubChem CID 175747771) has the molecular formula C15H10O7 and a molecular weight of 302.24 g/mol. Its IUPAC name is chromene-2,2,3,3,4,4-hexacarbaldehyde.

Molecular Properties

Compound Namechromene-2,2,3,3,4,4-hexacarbaldehyde
PubChem CID175747771
Molecular FormulaC15H10O7
Molecular Weight302.24 g/mol
Exact Mass302.04
IUPAC Namechromene-2,2,3,3,4,4-hexacarbaldehyde
SMILESO=CC1(C=O)Oc2ccccc2C(C=O)(C=O)C1(C=O)C=O
InChIInChI=1S/C15H10O7/c16-5-13(6-17)11-3-1-2-4-12(11)22-15(9-20,10-21)14(13,7-18)8-19/h1-10H
InChIKeyNWDAWGILZULIGO-UHFFFAOYSA-N
XLogP-0.76
TPSA111.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chromene-2,2,3,3,4,4-hexacarbaldehyde?
The IUPAC name of chromene-2,2,3,3,4,4-hexacarbaldehyde (CID 175747771) is chromene-2,2,3,3,4,4-hexacarbaldehyde.
What is the SMILES notation for chromene-2,2,3,3,4,4-hexacarbaldehyde?
The canonical SMILES for chromene-2,2,3,3,4,4-hexacarbaldehyde is O=CC1(C=O)Oc2ccccc2C(C=O)(C=O)C1(C=O)C=O.
What is the InChIKey of chromene-2,2,3,3,4,4-hexacarbaldehyde?
The InChIKey is NWDAWGILZULIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7/c16-5-13(6-17)11-3-1-2-4-12(11)22-15(9-20,10-21)14(13,7-18)8-19/h1-10H.
What are the key properties of chromene-2,2,3,3,4,4-hexacarbaldehyde?
chromene-2,2,3,3,4,4-hexacarbaldehyde has a molecular weight of 302.24 g/mol, XLogP of -0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chromene-2,2,3,3,4,4-hexacarbaldehyde is sourced from PubChem (CID 175747771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).