3,3-dimethyl-5-oxodecanal

C12H22O2 — CID 90972879

IUPAC3,3-dimethyl-5-oxodecanal
SMILESCCCCCC(=O)CC(C)(C)CC=O
InChIInChI=1S/C12H22O2/c1-4-5-6-7-11(14)10-12(2,3)8-9-13/h9H,4-8,10H2,1-3H3
InChIKeyBFDPGWMJZQTYMM-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.14
Rot. Bonds8

About 3,3-dimethyl-5-oxodecanal

3,3-dimethyl-5-oxodecanal (PubChem CID 90972879) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxodecanal.

Molecular Properties

Compound Name3,3-dimethyl-5-oxodecanal
PubChem CID90972879
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3,3-dimethyl-5-oxodecanal
SMILESCCCCCC(=O)CC(C)(C)CC=O
InChIInChI=1S/C12H22O2/c1-4-5-6-7-11(14)10-12(2,3)8-9-13/h9H,4-8,10H2,1-3H3
InChIKeyBFDPGWMJZQTYMM-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173128843
2,2-dihydroxyhexacosan-4-one
CID 141351870
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CID 54161146
3,3,15,15-tetramethyl-7,11-dioxoheptadecanedial
CID 23431384
3-oxononadecanal
CID 87605711
formic acid;henicosane-7,12-dione
CID 175044766
1,1,1-trifluoroundecan-3-one
CID 62620056
9-oxotetradecanal
CID 13272684
1,1,1-trifluorotridecan-3-one
CID 14914275
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxodecanal?
The IUPAC name of 3,3-dimethyl-5-oxodecanal (CID 90972879) is 3,3-dimethyl-5-oxodecanal.
What is the SMILES notation for 3,3-dimethyl-5-oxodecanal?
The canonical SMILES for 3,3-dimethyl-5-oxodecanal is CCCCCC(=O)CC(C)(C)CC=O.
What is the InChIKey of 3,3-dimethyl-5-oxodecanal?
The InChIKey is BFDPGWMJZQTYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-11(14)10-12(2,3)8-9-13/h9H,4-8,10H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-oxodecanal?
3,3-dimethyl-5-oxodecanal has a molecular weight of 198.31 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxodecanal is sourced from PubChem (CID 90972879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).