2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial

C14H24O2 — CID 10823036

IUPAC2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial
SMILESCC(C)=CCCCC(C)(C=O)CC(C)C=O
InChIInChI=1S/C14H24O2/c1-12(2)7-5-6-8-14(4,11-16)9-13(3)10-15/h7,10-11,13H,5-6,8-9H2,1-4H3
InChIKeyVYPGRAORKKZBFW-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.55
Rot. Bonds8

About 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial

2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial (PubChem CID 10823036) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial.

Molecular Properties

Compound Name2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial
PubChem CID10823036
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial
SMILESCC(C)=CCCCC(C)(C=O)CC(C)C=O
InChIInChI=1S/C14H24O2/c1-12(2)7-5-6-8-14(4,11-16)9-13(3)10-15/h7,10-11,13H,5-6,8-9H2,1-4H3
InChIKeyVYPGRAORKKZBFW-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.55
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylhept-5-enal
CID 158364508
2,4,4,7-tetramethyloct-6-enal
CID 88919833
2-methyl-2-(4-methylpent-3-enyl)oct-7-enal
CID 11506828
3-acetyl-3,7-dimethyl-2-sulfanyloct-6-enal
CID 150404068
2,6,10-trimethyl-5-oxoundec-9-enal
CID 101143441
2-ethyl-2,3,7-trimethyloct-6-enal
CID 54472042
S-tert-butyl 6-methylhept-5-enethioate
CID 86189138
(2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid
CID 87232686
(3R)-3,7-dimethyl-3-(2-methylpropyl)oct-6-enal
CID 153352209
2,7-dimethyloct-6-ene-1,2-diol
CID 10654785
2-ethyl-2,6-dimethylheptanal
CID 57421645
(3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one
CID 89053063

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial?
The IUPAC name of 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial (CID 10823036) is 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial.
What is the SMILES notation for 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial?
The canonical SMILES for 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial is CC(C)=CCCCC(C)(C=O)CC(C)C=O.
What is the InChIKey of 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial?
The InChIKey is VYPGRAORKKZBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(2)7-5-6-8-14(4,11-16)9-13(3)10-15/h7,10-11,13H,5-6,8-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial?
2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial has a molecular weight of 224.34 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial is sourced from PubChem (CID 10823036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).