acetaldehyde;2-methyl-6-oxaspiro[3.4]octane

C10H18O2 — CID 153364433

IUPACacetaldehyde;2-methyl-6-oxaspiro[3.4]octane
SMILESCC1CC2(CCOC2)C1.CC=O
InChIInChI=1S/C8H14O.C2H4O/c1-7-4-8(5-7)2-3-9-6-8;1-2-3/h7H,2-6H2,1H3;2H,1H3
InChIKeyJKDWFSBVONSLMM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.03
Rot. Bonds

About acetaldehyde;2-methyl-6-oxaspiro[3.4]octane

acetaldehyde;2-methyl-6-oxaspiro[3.4]octane (PubChem CID 153364433) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is acetaldehyde;2-methyl-6-oxaspiro[3.4]octane.

Molecular Properties

Compound Nameacetaldehyde;2-methyl-6-oxaspiro[3.4]octane
PubChem CID153364433
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameacetaldehyde;2-methyl-6-oxaspiro[3.4]octane
SMILESCC1CC2(CCOC2)C1.CC=O
InChIInChI=1S/C8H14O.C2H4O/c1-7-4-8(5-7)2-3-9-6-8;1-2-3/h7H,2-6H2,1H3;2H,1H3
InChIKeyJKDWFSBVONSLMM-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.03
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

ethane;2-methyl-7-oxaspiro[3.5]nonane
CID 144747152
8-methyl-2-oxaspiro[4.5]decane
CID 118029245
ethane;6-methyl-2-oxaspiro[3.3]heptane
CID 144747206
2,6-dimethylspiro[3.3]heptane
CID 21304360
2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane
CID 176985951
4-methyl-9-oxa-2-azaspiro[5.5]undecan-2-amine
CID 169184431
7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide
CID 118609045
2-methyl-1,7-dioxaspiro[3.4]octane
CID 177019772
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
2,9-dioxaspiro[4.6]undecane
CID 118210519
2-propan-2-yl-6-oxaspiro[3.5]nonane
CID 118613041
(3R,5S)-3-(iodomethyl)-2,7-dioxaspiro[4.4]nonane
CID 125456541

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-methyl-6-oxaspiro[3.4]octane?
The IUPAC name of acetaldehyde;2-methyl-6-oxaspiro[3.4]octane (CID 153364433) is acetaldehyde;2-methyl-6-oxaspiro[3.4]octane.
What is the SMILES notation for acetaldehyde;2-methyl-6-oxaspiro[3.4]octane?
The canonical SMILES for acetaldehyde;2-methyl-6-oxaspiro[3.4]octane is CC1CC2(CCOC2)C1.CC=O.
What is the InChIKey of acetaldehyde;2-methyl-6-oxaspiro[3.4]octane?
The InChIKey is JKDWFSBVONSLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C2H4O/c1-7-4-8(5-7)2-3-9-6-8;1-2-3/h7H,2-6H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;2-methyl-6-oxaspiro[3.4]octane?
acetaldehyde;2-methyl-6-oxaspiro[3.4]octane has a molecular weight of 170.25 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-methyl-6-oxaspiro[3.4]octane is sourced from PubChem (CID 153364433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).