2-ethylpentanal;5-methylhexanal

C14H28O2 — CID 23315878

IUPAC2-ethylpentanal;5-methylhexanal
SMILESCC(C)CCCC=O.CCCC(C=O)CC
InChIInChI=1S/2C7H14O/c1-7(2)5-3-4-6-8;1-3-5-7(4-2)6-8/h2*6-7H,3-5H2,1-2H3
InChIKeyDUHSOSOPLMSMBN-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.02
Rot. Bonds8

About 2-ethylpentanal;5-methylhexanal

2-ethylpentanal;5-methylhexanal (PubChem CID 23315878) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethylpentanal;5-methylhexanal.

Molecular Properties

Compound Name2-ethylpentanal;5-methylhexanal
PubChem CID23315878
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-ethylpentanal;5-methylhexanal
SMILESCC(C)CCCC=O.CCCC(C=O)CC
InChIInChI=1S/2C7H14O/c1-7(2)5-3-4-6-8;1-3-5-7(4-2)6-8/h2*6-7H,3-5H2,1-2H3
InChIKeyDUHSOSOPLMSMBN-UHFFFAOYSA-N
XLogP4.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.02
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

(2S)-2-ethylpentanal
CID 71368973
2-propylpentanedial
CID 86120951
12-methyltridecanal
CID 146297718
22-methyltricosanal
CID 86049143
18-methylnonadecanal
CID 22123977
alumane;6-methylheptanal
CID 174999973
alumane;5-methylheptanal
CID 175597367
2-ethylhexanal;tantalum
CID 87424385
2-ethylhexanal;methane
CID 139299505
methane;12-methyltridecanal
CID 175307429
2-ethylhexanal;phosphane
CID 174518467
2-ethylheptadecanal
CID 18629573

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentanal;5-methylhexanal?
The IUPAC name of 2-ethylpentanal;5-methylhexanal (CID 23315878) is 2-ethylpentanal;5-methylhexanal.
What is the SMILES notation for 2-ethylpentanal;5-methylhexanal?
The canonical SMILES for 2-ethylpentanal;5-methylhexanal is CC(C)CCCC=O.CCCC(C=O)CC.
What is the InChIKey of 2-ethylpentanal;5-methylhexanal?
The InChIKey is DUHSOSOPLMSMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O/c1-7(2)5-3-4-6-8;1-3-5-7(4-2)6-8/h2*6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethylpentanal;5-methylhexanal?
2-ethylpentanal;5-methylhexanal has a molecular weight of 228.38 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentanal;5-methylhexanal is sourced from PubChem (CID 23315878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).