benzaldehyde;ethane;methanol

C11H20O3 — CID 143448374

IUPACbenzaldehyde;ethane;methanol
SMILESCC.CO.CO.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C2H6.2CH4O/c8-6-7-4-2-1-3-5-7;3*1-2/h1-6H;1-2H3;2*2H,1H3
InChIKeyDCJCYXRSVHKVLH-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.74
Rot. Bonds1

About benzaldehyde;ethane;methanol

benzaldehyde;ethane;methanol (PubChem CID 143448374) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is benzaldehyde;ethane;methanol.

Molecular Properties

Compound Namebenzaldehyde;ethane;methanol
PubChem CID143448374
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namebenzaldehyde;ethane;methanol
SMILESCC.CO.CO.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C2H6.2CH4O/c8-6-7-4-2-1-3-5-7;3*1-2/h1-6H;1-2H3;2*2H,1H3
InChIKeyDCJCYXRSVHKVLH-UHFFFAOYSA-N
XLogP1.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzaldehyde;ethane;methanol?
The IUPAC name of benzaldehyde;ethane;methanol (CID 143448374) is benzaldehyde;ethane;methanol.
What is the SMILES notation for benzaldehyde;ethane;methanol?
The canonical SMILES for benzaldehyde;ethane;methanol is CC.CO.CO.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;ethane;methanol?
The InChIKey is DCJCYXRSVHKVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.C2H6.2CH4O/c8-6-7-4-2-1-3-5-7;3*1-2/h1-6H;1-2H3;2*2H,1H3.
What are the key properties of benzaldehyde;ethane;methanol?
benzaldehyde;ethane;methanol has a molecular weight of 200.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;ethane;methanol is sourced from PubChem (CID 143448374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).