ethane;4-ethylcyclohexane-1-carbaldehyde

C13H28O — CID 145257925

IUPACethane;4-ethylcyclohexane-1-carbaldehyde
SMILESCC.CC.CCC1CCC(C=O)CC1
InChIInChI=1S/C9H16O.2C2H6/c1-2-8-3-5-9(7-10)6-4-8;2*1-2/h7-9H,2-6H2,1H3;2*1-2H3
InChIKeyFIGYXGLORGRZNI-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.45
Rot. Bonds2

About ethane;4-ethylcyclohexane-1-carbaldehyde

ethane;4-ethylcyclohexane-1-carbaldehyde (PubChem CID 145257925) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;4-ethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Nameethane;4-ethylcyclohexane-1-carbaldehyde
PubChem CID145257925
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Nameethane;4-ethylcyclohexane-1-carbaldehyde
SMILESCC.CC.CCC1CCC(C=O)CC1
InChIInChI=1S/C9H16O.2C2H6/c1-2-8-3-5-9(7-10)6-4-8;2*1-2/h7-9H,2-6H2,1H3;2*1-2H3
InChIKeyFIGYXGLORGRZNI-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 15430928
ethane;ethylcyclopropane
CID 91380076
1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane
CID 140739356
(4-formylcyclohexyl) 4-ethylcyclohexane-1-carboxylate
CID 18394205
4-(hydroxymethyl)cyclohexane-1-carbaldehyde
CID 523023
4-(methylaminomethyl)cyclohexane-1-carbaldehyde
CID 88882125
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002
azane;ethylcyclopropane
CID 20975579
1-(2-bromoethenyl)-4-ethylcyclohexane
CID 173341809
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 20633982
4-ethylcyclohexan-1-ol;formic acid
CID 175472240

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylcyclohexane-1-carbaldehyde?
The IUPAC name of ethane;4-ethylcyclohexane-1-carbaldehyde (CID 145257925) is ethane;4-ethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for ethane;4-ethylcyclohexane-1-carbaldehyde?
The canonical SMILES for ethane;4-ethylcyclohexane-1-carbaldehyde is CC.CC.CCC1CCC(C=O)CC1.
What is the InChIKey of ethane;4-ethylcyclohexane-1-carbaldehyde?
The InChIKey is FIGYXGLORGRZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.2C2H6/c1-2-8-3-5-9(7-10)6-4-8;2*1-2/h7-9H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;4-ethylcyclohexane-1-carbaldehyde?
ethane;4-ethylcyclohexane-1-carbaldehyde has a molecular weight of 200.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 145257925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).