2-methyl-2-(4-methylpent-3-enyl)oct-7-enal

C15H26O — CID 11506828

IUPAC2-methyl-2-(4-methylpent-3-enyl)oct-7-enal
SMILESC=CCCCCC(C)(C=O)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-5-6-7-8-11-15(4,13-16)12-9-10-14(2)3/h5,10,13H,1,6-9,11-12H2,2-4H3
InChIKeyBSHMYYYKABGXFT-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.68
Rot. Bonds9

About 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal

2-methyl-2-(4-methylpent-3-enyl)oct-7-enal (PubChem CID 11506828) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal.

Molecular Properties

Compound Name2-methyl-2-(4-methylpent-3-enyl)oct-7-enal
PubChem CID11506828
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-methyl-2-(4-methylpent-3-enyl)oct-7-enal
SMILESC=CCCCCC(C)(C=O)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-5-6-7-8-11-15(4,13-16)12-9-10-14(2)3/h5,10,13H,1,6-9,11-12H2,2-4H3
InChIKeyBSHMYYYKABGXFT-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial
CID 10823036
(6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one
CID 162961639
6-ethenyl-2,6-dimethyl-8-methylidenedec-2-ene
CID 154718981
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
4,4,8-trimethylnon-7-enal
CID 121006941
(4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid
CID 174495173
7-fluoro-7-methyloct-1-ene
CID 87159398
3-acetyl-3,7-dimethyl-2-sulfanyloct-6-enal
CID 150404068
2,3,3-trimethyltetradec-13-en-2-ol
CID 15425796
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal?
The IUPAC name of 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal (CID 11506828) is 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal.
What is the SMILES notation for 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal?
The canonical SMILES for 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal is C=CCCCCC(C)(C=O)CCC=C(C)C.
What is the InChIKey of 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal?
The InChIKey is BSHMYYYKABGXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-5-6-7-8-11-15(4,13-16)12-9-10-14(2)3/h5,10,13H,1,6-9,11-12H2,2-4H3.
What are the key properties of 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal?
2-methyl-2-(4-methylpent-3-enyl)oct-7-enal has a molecular weight of 222.37 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpent-3-enyl)oct-7-enal is sourced from PubChem (CID 11506828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).