acetaldehyde;1-cyclohexylethanone;ethane

C14H30O2 — CID 145408304

IUPACacetaldehyde;1-cyclohexylethanone;ethane
SMILESCC.CC.CC(=O)C1CCCCC1.CC=O
InChIInChI=1S/C8H14O.C2H4O.2C2H6/c1-7(9)8-5-3-2-4-6-8;1-2-3;2*1-2/h8H,2-6H2,1H3;2H,1H3;2*1-2H3
InChIKeyJVQHXKCPBKEISN-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.41
Rot. Bonds1

About acetaldehyde;1-cyclohexylethanone;ethane

acetaldehyde;1-cyclohexylethanone;ethane (PubChem CID 145408304) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is acetaldehyde;1-cyclohexylethanone;ethane.

Molecular Properties

Compound Nameacetaldehyde;1-cyclohexylethanone;ethane
PubChem CID145408304
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Nameacetaldehyde;1-cyclohexylethanone;ethane
SMILESCC.CC.CC(=O)C1CCCCC1.CC=O
InChIInChI=1S/C8H14O.C2H4O.2C2H6/c1-7(9)8-5-3-2-4-6-8;1-2-3;2*1-2/h8H,2-6H2,1H3;2H,1H3;2*1-2H3
InChIKeyJVQHXKCPBKEISN-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentylethanone;propane
CID 145026358
CID 88741399
CID 88741399
acetylene;1-cyclohexylethanone;prop-1-yne
CID 143179551
1-cyclohexylethanone;dioxathiirane 3,3-dioxide
CID 71436930
acetaldehyde;1-(3,3-dimethylcyclohexyl)ethanone
CID 21325815
N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide
CID 23629184
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717
carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide
CID 23232725
2-cyclohexyl-3-methylbut-2-enal;ethane
CID 91397598
1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
CID 15875364
3-cyclohexyl-2-methyl-3-oxopropanal;ethane
CID 145129838
1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole
CID 144882448

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-cyclohexylethanone;ethane?
The IUPAC name of acetaldehyde;1-cyclohexylethanone;ethane (CID 145408304) is acetaldehyde;1-cyclohexylethanone;ethane.
What is the SMILES notation for acetaldehyde;1-cyclohexylethanone;ethane?
The canonical SMILES for acetaldehyde;1-cyclohexylethanone;ethane is CC.CC.CC(=O)C1CCCCC1.CC=O.
What is the InChIKey of acetaldehyde;1-cyclohexylethanone;ethane?
The InChIKey is JVQHXKCPBKEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C2H4O.2C2H6/c1-7(9)8-5-3-2-4-6-8;1-2-3;2*1-2/h8H,2-6H2,1H3;2H,1H3;2*1-2H3.
What are the key properties of acetaldehyde;1-cyclohexylethanone;ethane?
acetaldehyde;1-cyclohexylethanone;ethane has a molecular weight of 230.39 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-cyclohexylethanone;ethane is sourced from PubChem (CID 145408304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).