bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane

C12H22O4 — CID 144892005

IUPACbicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane
SMILESCO.COC.O=CC12CCC(C=O)(CC1)C2
InChIInChI=1S/C9H12O2.C2H6O.CH4O/c10-6-8-1-2-9(5-8,7-11)4-3-8;1-3-2;1-2/h6-7H,1-5H2;1-2H3;2H,1H3
InChIKeyTWVWKEAJAUEKJQ-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.21
Rot. Bonds2

About bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane

bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane (PubChem CID 144892005) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane
PubChem CID144892005
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Namebicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane
SMILESCO.COC.O=CC12CCC(C=O)(CC1)C2
InChIInChI=1S/C9H12O2.C2H6O.CH4O/c10-6-8-1-2-9(5-8,7-11)4-3-8;1-3-2;1-2/h6-7H,1-5H2;1-2H3;2H,1H3
InChIKeyTWVWKEAJAUEKJQ-UHFFFAOYSA-N
XLogP1.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanol;1-methyl-2-oxabicyclo[2.1.1]hexane-4-carbaldehyde
CID 163277889
dimethyl 1,4-diformylcyclohexane-1,4-dicarboxylate
CID 15656318
(1-formylcyclopropyl) acetate
CID 155705215
1-aminocyclopentane-1-carbaldehyde;methanol
CID 142267207
potassium;(1-formylcyclopropyl) acetate;hydride
CID 175076174
8-methoxyspiro[4.5]decane-8-carbaldehyde
CID 130656020
1-[(1Z,3E)-1,4-diamino-4-methoxybuta-1,3-dienyl]cyclopropane-1-carbaldehyde;methanol
CID 155587386
ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 178099838
3-propylbicyclo[1.1.1]pentane-1-carbaldehyde
CID 167557016
methyl 4-aminopiperidine-4-carboxylate
CID 22907215
methyl 4-(2-oxoethyl)bicyclo[2.2.1]heptane-1-carboxylate
CID 135392728
4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde
CID 162781246

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane?
The IUPAC name of bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane (CID 144892005) is bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane.
What is the SMILES notation for bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane?
The canonical SMILES for bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane is CO.COC.O=CC12CCC(C=O)(CC1)C2.
What is the InChIKey of bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane?
The InChIKey is TWVWKEAJAUEKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C2H6O.CH4O/c10-6-8-1-2-9(5-8,7-11)4-3-8;1-3-2;1-2/h6-7H,1-5H2;1-2H3;2H,1H3.
What are the key properties of bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane?
bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane has a molecular weight of 230.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-1,4-dicarbaldehyde;methanol;methoxymethane is sourced from PubChem (CID 144892005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).