ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde

C14H22O2 — CID 143584856

IUPACethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde
SMILESCC.CO.Cc1cccc2c1CC(C=O)C2
InChIInChI=1S/C11H12O.C2H6.CH4O/c1-8-3-2-4-10-5-9(7-12)6-11(8)10;2*1-2/h2-4,7,9H,5-6H2,1H3;1-2H3;2H,1H3
InChIKeyWVGFNZDDGJTWOX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds1

About ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde

ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde (PubChem CID 143584856) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde.

Molecular Properties

Compound Nameethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde
PubChem CID143584856
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde
SMILESCC.CO.Cc1cccc2c1CC(C=O)C2
InChIInChI=1S/C11H12O.C2H6.CH4O/c1-8-3-2-4-10-5-9(7-12)6-11(8)10;2*1-2/h2-4,7,9H,5-6H2,1H3;1-2H3;2H,1H3
InChIKeyWVGFNZDDGJTWOX-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
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

ethane;4-methyl-2-propan-2-yl-2,3-dihydro-1H-indene
CID 177160201
2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid
CID 105472702
5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
CID 105428926
2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propan-1-ol
CID 105444501
N-cyclopropyl-4-methyl-2,3-dihydro-1H-inden-2-amine
CID 83829023
2-(8-methyl-3-oxo-2,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 121369235
(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 35700262
2-(5-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 112546953
1,8-dimethyl-9H-fluorene-9-carbaldehyde
CID 174591685
(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 105436631
5-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
CID 59215088
N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 58777905

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde?
The IUPAC name of ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde (CID 143584856) is ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde.
What is the SMILES notation for ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde?
The canonical SMILES for ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde is CC.CO.Cc1cccc2c1CC(C=O)C2.
What is the InChIKey of ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde?
The InChIKey is WVGFNZDDGJTWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C2H6.CH4O/c1-8-3-2-4-10-5-9(7-12)6-11(8)10;2*1-2/h2-4,7,9H,5-6H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde?
ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde has a molecular weight of 222.33 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde is sourced from PubChem (CID 143584856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).