ethane;4-ethenylbenzaldehyde;methanol

C14H24O2 — CID 145257889

IUPACethane;4-ethenylbenzaldehyde;methanol
SMILESC=Cc1ccc(C=O)cc1.CC.CC.CO
InChIInChI=1S/C9H8O.2C2H6.CH4O/c1-2-8-3-5-9(7-10)6-4-8;3*1-2/h2-7H,1H2;2*1-2H3;2H,1H3
InChIKeyGDTDJBKNDJLZIO-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.80
Rot. Bonds2

About ethane;4-ethenylbenzaldehyde;methanol

ethane;4-ethenylbenzaldehyde;methanol (PubChem CID 145257889) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethane;4-ethenylbenzaldehyde;methanol.

Molecular Properties

Compound Nameethane;4-ethenylbenzaldehyde;methanol
PubChem CID145257889
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethane;4-ethenylbenzaldehyde;methanol
SMILESC=Cc1ccc(C=O)cc1.CC.CC.CO
InChIInChI=1S/C9H8O.2C2H6.CH4O/c1-2-8-3-5-9(7-10)6-4-8;3*1-2/h2-7H,1H2;2*1-2H3;2H,1H3
InChIKeyGDTDJBKNDJLZIO-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenylbenzaldehyde;methoxyethane
CID 142202531
benzaldehyde;ethane;methanol
CID 143448374
ethane;ethene;4-ethenylphenol
CID 178000559
1,4-bis(ethenyl)benzene;urea
CID 18766675
methanol;4-(methylamino)benzaldehyde;prop-2-enal
CID 153387610
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
ethane;N-(4-ethenylphenyl)formamide
CID 143911440
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]benzaldehyde
CID 142005838
bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982
1-bromo-4-ethenylbenzene;ethane
CID 144688744
ethane;1-ethenyl-4-fluorobenzene
CID 143529924
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenylbenzaldehyde;methanol?
The IUPAC name of ethane;4-ethenylbenzaldehyde;methanol (CID 145257889) is ethane;4-ethenylbenzaldehyde;methanol.
What is the SMILES notation for ethane;4-ethenylbenzaldehyde;methanol?
The canonical SMILES for ethane;4-ethenylbenzaldehyde;methanol is C=Cc1ccc(C=O)cc1.CC.CC.CO.
What is the InChIKey of ethane;4-ethenylbenzaldehyde;methanol?
The InChIKey is GDTDJBKNDJLZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.2C2H6.CH4O/c1-2-8-3-5-9(7-10)6-4-8;3*1-2/h2-7H,1H2;2*1-2H3;2H,1H3.
What are the key properties of ethane;4-ethenylbenzaldehyde;methanol?
ethane;4-ethenylbenzaldehyde;methanol has a molecular weight of 224.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenylbenzaldehyde;methanol is sourced from PubChem (CID 145257889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).