carbonic acid;dodecanal

C14H28O7 — CID 87947916

IUPACcarbonic acid;dodecanal
SMILESCCCCCCCCCCCC=O.O=C(O)O.O=C(O)O
InChIInChI=1S/C12H24O.2CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;2*2-1(3)4/h12H,2-11H2,1H3;2*(H2,2,3,4)
InChIKeyADWWTSDGTSTLRP-UHFFFAOYSA-N
MW308.37 g/mol
LogP4.55
Rot. Bonds10

About carbonic acid;dodecanal

carbonic acid;dodecanal (PubChem CID 87947916) has the molecular formula C14H28O7 and a molecular weight of 308.37 g/mol. Its IUPAC name is carbonic acid;dodecanal.

Molecular Properties

Compound Namecarbonic acid;dodecanal
PubChem CID87947916
Molecular FormulaC14H28O7
Molecular Weight308.37 g/mol
Exact Mass308.18
IUPAC Namecarbonic acid;dodecanal
SMILESCCCCCCCCCCCC=O.O=C(O)O.O=C(O)O
InChIInChI=1S/C12H24O.2CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;2*2-1(3)4/h12H,2-11H2,1H3;2*(H2,2,3,4)
InChIKeyADWWTSDGTSTLRP-UHFFFAOYSA-N
XLogP4.55
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decanal;decane
CID 157361056
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
ruthenium;tridecanal
CID 175429355
ethane-1,2-diol;heptanal
CID 87390438
calcium;hydride;octanal
CID 173446851
acetaldehyde;dodecanal
CID 163903587
9-oxotetradecanal
CID 13272684
hexanal;titanium
CID 87066655
hexanal;trihydrochloride
CID 175325753

Frequently Asked Questions

What is the IUPAC name of carbonic acid;dodecanal?
The IUPAC name of carbonic acid;dodecanal (CID 87947916) is carbonic acid;dodecanal.
What is the SMILES notation for carbonic acid;dodecanal?
The canonical SMILES for carbonic acid;dodecanal is CCCCCCCCCCCC=O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;dodecanal?
The InChIKey is ADWWTSDGTSTLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.2CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;2*2-1(3)4/h12H,2-11H2,1H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;dodecanal?
carbonic acid;dodecanal has a molecular weight of 308.37 g/mol, XLogP of 4.55, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;dodecanal is sourced from PubChem (CID 87947916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).