2-methyl-8-(oxiran-2-yl)octanal

C11H20O2 — CID 101153303

IUPAC2-methyl-8-(oxiran-2-yl)octanal
SMILESCC(C=O)CCCCCCC1CO1
InChIInChI=1S/C11H20O2/c1-10(8-12)6-4-2-3-5-7-11-9-13-11/h8,10-11H,2-7,9H2,1H3
InChIKeyMXXWOZSOGZHXLS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds8

About 2-methyl-8-(oxiran-2-yl)octanal

2-methyl-8-(oxiran-2-yl)octanal (PubChem CID 101153303) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-8-(oxiran-2-yl)octanal.

Molecular Properties

Compound Name2-methyl-8-(oxiran-2-yl)octanal
PubChem CID101153303
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-8-(oxiran-2-yl)octanal
SMILESCC(C=O)CCCCCCC1CO1
InChIInChI=1S/C11H20O2/c1-10(8-12)6-4-2-3-5-7-11-9-13-11/h8,10-11H,2-7,9H2,1H3
InChIKeyMXXWOZSOGZHXLS-UHFFFAOYSA-N
XLogP2.56
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

7-Methoxy-3,7-Dimethyloctanal
CID 19223
6-Methoxy-2,6-dimethyloctanal
CID 24755581
3,7-Dimethyl-7-ethoxyoctanal
CID 160707
(3S)-7-methoxy-3,7-dimethyloctanal
CID 6999891
Citronellaloxyd
CID 10964956
Methyl 10-methyl-11-oxoundecanoate
CID 18915978
8-(Oxiran-2-yl)octanal
CID 11275262
Methyl 9-methyl-10-oxodecanoate
CID 134997354
3-Methyl-5-(2,3,3-trimethyloxiran-2-yl)pentanal
CID 102131715
10-Carbomethoxyundecanal
CID 129663334
trans-9,10-Epoxytetradecanal
CID 129776434
trans-8,9-Epoxytridecanal
CID 129776460

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(oxiran-2-yl)octanal?
The IUPAC name of 2-methyl-8-(oxiran-2-yl)octanal (CID 101153303) is 2-methyl-8-(oxiran-2-yl)octanal.
What is the SMILES notation for 2-methyl-8-(oxiran-2-yl)octanal?
The canonical SMILES for 2-methyl-8-(oxiran-2-yl)octanal is CC(C=O)CCCCCCC1CO1.
What is the InChIKey of 2-methyl-8-(oxiran-2-yl)octanal?
The InChIKey is MXXWOZSOGZHXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(8-12)6-4-2-3-5-7-11-9-13-11/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 2-methyl-8-(oxiran-2-yl)octanal?
2-methyl-8-(oxiran-2-yl)octanal has a molecular weight of 184.28 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(oxiran-2-yl)octanal is sourced from PubChem (CID 101153303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).