acetaldehyde;ethane;1-methylcyclopenta-1,3-diene

C10H18O — CID 91150107

IUPACacetaldehyde;ethane;1-methylcyclopenta-1,3-diene
SMILESCC.CC1=CC=CC1.CC=O
InChIInChI=1S/C6H8.C2H4O.C2H6/c1-6-4-2-3-5-6;1-2-3;1-2/h2-4H,5H2,1H3;2H,1H3;1-2H3
InChIKeySSGXBNNSICKJRK-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.12
Rot. Bonds

About acetaldehyde;ethane;1-methylcyclopenta-1,3-diene

acetaldehyde;ethane;1-methylcyclopenta-1,3-diene (PubChem CID 91150107) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is acetaldehyde;ethane;1-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameacetaldehyde;ethane;1-methylcyclopenta-1,3-diene
PubChem CID91150107
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nameacetaldehyde;ethane;1-methylcyclopenta-1,3-diene
SMILESCC.CC1=CC=CC1.CC=O
InChIInChI=1S/C6H8.C2H4O.C2H6/c1-6-4-2-3-5-6;1-2-3;1-2/h2-4H,5H2,1H3;2H,1H3;1-2H3
InChIKeySSGXBNNSICKJRK-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.12
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

hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151
magnesium;hydride;bis(1-methylcyclopenta-1,3-diene)
CID 173083947
1,6-dimethylcycloocta-1,3,6-triene
CID 123605160
1-methylcycloocta-1,3,6-triene
CID 72521543
ethane;1-methylcyclohexa-1,3-diene
CID 91025584
ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene
CID 159843213
(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
CID 169152065
N-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]formamide
CID 143561422
N,N-di(cyclopenta-1,3-dien-1-yl)formamide
CID 22486733

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;1-methylcyclopenta-1,3-diene?
The IUPAC name of acetaldehyde;ethane;1-methylcyclopenta-1,3-diene (CID 91150107) is acetaldehyde;ethane;1-methylcyclopenta-1,3-diene.
What is the SMILES notation for acetaldehyde;ethane;1-methylcyclopenta-1,3-diene?
The canonical SMILES for acetaldehyde;ethane;1-methylcyclopenta-1,3-diene is CC.CC1=CC=CC1.CC=O.
What is the InChIKey of acetaldehyde;ethane;1-methylcyclopenta-1,3-diene?
The InChIKey is SSGXBNNSICKJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.C2H4O.C2H6/c1-6-4-2-3-5-6;1-2-3;1-2/h2-4H,5H2,1H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;1-methylcyclopenta-1,3-diene?
acetaldehyde;ethane;1-methylcyclopenta-1,3-diene has a molecular weight of 154.25 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 91150107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).