3-spiro[2.5]octan-2-ylpropanal

C11H18O — CID 84652535

IUPAC3-spiro[2.5]octan-2-ylpropanal
SMILESO=CCCC1CC12CCCCC2
InChIInChI=1S/C11H18O/c12-8-4-5-10-9-11(10)6-2-1-3-7-11/h8,10H,1-7,9H2
InChIKeyPKSYQNDVYXPZLU-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds3

About 3-spiro[2.5]octan-2-ylpropanal

3-spiro[2.5]octan-2-ylpropanal (PubChem CID 84652535) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-spiro[2.5]octan-2-ylpropanal.

Molecular Properties

Compound Name3-spiro[2.5]octan-2-ylpropanal
PubChem CID84652535
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-spiro[2.5]octan-2-ylpropanal
SMILESO=CCCC1CC12CCCCC2
InChIInChI=1S/C11H18O/c12-8-4-5-10-9-11(10)6-2-1-3-7-11/h8,10H,1-7,9H2
InChIKeyPKSYQNDVYXPZLU-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.94
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

3-(5-thiaspiro[2.3]hexan-2-yl)propanal
CID 84650442
[(2R)-spiro[2.5]octan-2-yl]methanol
CID 129372228
methanamine;3-[(6S,9S)-5,8,9-triamino-6-ethyl-10,13-dimethyl-1,2,3,4,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanal
CID 145358549
2-spiro[2.5]octan-8-ylacetaldehyde
CID 155822522
[(2R)-spiro[2.3]hexan-2-yl]methanol
CID 129372224
[(2R)-spiro[2.4]heptan-2-yl]methanamine
CID 94557824
(2R)-2-ethylspiro[2.4]heptane
CID 147630807
N-(spiro[2.11]tetradecan-2-ylmethyl)ethanamine
CID 63513335
1-spiro[2.5]octan-2-ylpropan-2-amine
CID 84652874
N-(spiro[2.6]nonan-2-ylmethyl)ethanamine
CID 62708350
(2R)-spiro[2.3]hexan-2-amine
CID 124508890
spiro[2.3]hexan-2-amine
CID 55289803

Frequently Asked Questions

What is the IUPAC name of 3-spiro[2.5]octan-2-ylpropanal?
The IUPAC name of 3-spiro[2.5]octan-2-ylpropanal (CID 84652535) is 3-spiro[2.5]octan-2-ylpropanal.
What is the SMILES notation for 3-spiro[2.5]octan-2-ylpropanal?
The canonical SMILES for 3-spiro[2.5]octan-2-ylpropanal is O=CCCC1CC12CCCCC2.
What is the InChIKey of 3-spiro[2.5]octan-2-ylpropanal?
The InChIKey is PKSYQNDVYXPZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c12-8-4-5-10-9-11(10)6-2-1-3-7-11/h8,10H,1-7,9H2.
What are the key properties of 3-spiro[2.5]octan-2-ylpropanal?
3-spiro[2.5]octan-2-ylpropanal has a molecular weight of 166.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[2.5]octan-2-ylpropanal is sourced from PubChem (CID 84652535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).