acetaldehyde;4,4-dimethylcyclopentene;ethane

C11H22O — CID 144700874

IUPACacetaldehyde;4,4-dimethylcyclopentene;ethane
SMILESCC.CC1(C)CC=CC1.CC=O
InChIInChI=1S/C7H12.C2H4O.C2H6/c1-7(2)5-3-4-6-7;1-2-3;1-2/h3-4H,5-6H2,1-2H3;2H,1H3;1-2H3
InChIKeyXJXMNPBPYYKJNB-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.59
Rot. Bonds

About acetaldehyde;4,4-dimethylcyclopentene;ethane

acetaldehyde;4,4-dimethylcyclopentene;ethane (PubChem CID 144700874) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is acetaldehyde;4,4-dimethylcyclopentene;ethane.

Molecular Properties

Compound Nameacetaldehyde;4,4-dimethylcyclopentene;ethane
PubChem CID144700874
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nameacetaldehyde;4,4-dimethylcyclopentene;ethane
SMILESCC.CC1(C)CC=CC1.CC=O
InChIInChI=1S/C7H12.C2H4O.C2H6/c1-7(2)5-3-4-6-7;1-2-3;1-2/h3-4H,5-6H2,1-2H3;2H,1H3;1-2H3
InChIKeyXJXMNPBPYYKJNB-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethylcyclopentene;methane
CID 143166820
acetaldehyde;ethane;methane
CID 159605506
acetaldehyde
CID 158130567
(1S)-1-methylcyclobut-2-ene-1-carbaldehyde
CID 173492994
cyclopent-3-ene-1,1-dicarbaldehyde
CID 57357760
acetaldehyde;cyclohexene
CID 87322239
ethane;spiro[3.5]non-7-ene
CID 144945784
acetaldehyde;stibane
CID 173001465
acetaldehyde;manganese
CID 172998417
acetaldehyde;bismuthane
CID 173068240
acetaldehyde;germane
CID 173117793
acetaldehyde;gold
CID 173056569

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;4,4-dimethylcyclopentene;ethane?
The IUPAC name of acetaldehyde;4,4-dimethylcyclopentene;ethane (CID 144700874) is acetaldehyde;4,4-dimethylcyclopentene;ethane.
What is the SMILES notation for acetaldehyde;4,4-dimethylcyclopentene;ethane?
The canonical SMILES for acetaldehyde;4,4-dimethylcyclopentene;ethane is CC.CC1(C)CC=CC1.CC=O.
What is the InChIKey of acetaldehyde;4,4-dimethylcyclopentene;ethane?
The InChIKey is XJXMNPBPYYKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C2H4O.C2H6/c1-7(2)5-3-4-6-7;1-2-3;1-2/h3-4H,5-6H2,1-2H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;4,4-dimethylcyclopentene;ethane?
acetaldehyde;4,4-dimethylcyclopentene;ethane has a molecular weight of 170.30 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;4,4-dimethylcyclopentene;ethane is sourced from PubChem (CID 144700874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).