acetaldehyde;bicyclo[3.2.1]octane

C10H18O — CID 155693421

IUPACacetaldehyde;bicyclo[3.2.1]octane
SMILESC1CC2CCC(C1)C2.CC=O
InChIInChI=1S/C8H14.C2H4O/c1-2-7-4-5-8(3-1)6-7;1-2-3/h7-8H,1-6H2;2H,1H3
InChIKeyMTYFZSIEFCNNGY-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds

About acetaldehyde;bicyclo[3.2.1]octane

acetaldehyde;bicyclo[3.2.1]octane (PubChem CID 155693421) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is acetaldehyde;bicyclo[3.2.1]octane.

Molecular Properties

Compound Nameacetaldehyde;bicyclo[3.2.1]octane
PubChem CID155693421
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nameacetaldehyde;bicyclo[3.2.1]octane
SMILESC1CC2CCC(C1)C2.CC=O
InChIInChI=1S/C8H14.C2H4O/c1-2-7-4-5-8(3-1)6-7;1-2-3/h7-8H,1-6H2;2H,1H3
InChIKeyMTYFZSIEFCNNGY-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;bicyclo[3.2.1]octane?
The IUPAC name of acetaldehyde;bicyclo[3.2.1]octane (CID 155693421) is acetaldehyde;bicyclo[3.2.1]octane.
What is the SMILES notation for acetaldehyde;bicyclo[3.2.1]octane?
The canonical SMILES for acetaldehyde;bicyclo[3.2.1]octane is C1CC2CCC(C1)C2.CC=O.
What is the InChIKey of acetaldehyde;bicyclo[3.2.1]octane?
The InChIKey is MTYFZSIEFCNNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C2H4O/c1-2-7-4-5-8(3-1)6-7;1-2-3/h7-8H,1-6H2;2H,1H3.
What are the key properties of acetaldehyde;bicyclo[3.2.1]octane?
acetaldehyde;bicyclo[3.2.1]octane has a molecular weight of 154.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;bicyclo[3.2.1]octane is sourced from PubChem (CID 155693421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).