11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal

C15H26O3 — CID 72576194

IUPAC11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal
SMILESCC1(CCCCCC=CCCCC=O)OCCO1
InChIInChI=1S/C15H26O3/c1-15(17-13-14-18-15)11-9-7-5-3-2-4-6-8-10-12-16/h2,4,12H,3,5-11,13-14H2,1H3
InChIKeyJVHRVHFVYMZXSR-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.63
Rot. Bonds10

About 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal

11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal (PubChem CID 72576194) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal.

Molecular Properties

Compound Name11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal
PubChem CID72576194
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal
SMILESCC1(CCCCCC=CCCCC=O)OCCO1
InChIInChI=1S/C15H26O3/c1-15(17-13-14-18-15)11-9-7-5-3-2-4-6-8-10-12-16/h2,4,12H,3,5-11,13-14H2,1H3
InChIKeyJVHRVHFVYMZXSR-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(Z)-1-(1,3-dioxolan-2-yl)non-6-en-3-one
CID 131857971
ethyl (Z)-7-(2-hexyl-1,3-dioxolan-2-yl)hept-4-enoate
CID 134971242
(E)-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enal
CID 59371790
(Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal
CID 59841782
10-(2-Heptyl-1,3-dioxolan-2-yl)dec-2-enal
CID 91434846
3-[2,2-Bis(octadeca-6,9,12-trienyl)-1,3-dioxolan-4-yl]propanal
CID 123386316
(Z)-12-(2-methyl-1,3-dioxolan-2-yl)dodec-6-enal
CID 143159035
(Z)-12,12-dimethoxytridec-5-enal
CID 143159039
ethyl (E)-7-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-4-enoate
CID 10500963
ethyl (E)-7-[(4S,5S)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-4-enoate
CID 10960867
(E)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-4-enal
CID 11461497
ethyl (E)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-4-enoate
CID 11728331

Frequently Asked Questions

What is the IUPAC name of 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal?
The IUPAC name of 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal (CID 72576194) is 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal.
What is the SMILES notation for 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal?
The canonical SMILES for 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal is CC1(CCCCCC=CCCCC=O)OCCO1.
What is the InChIKey of 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal?
The InChIKey is JVHRVHFVYMZXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-15(17-13-14-18-15)11-9-7-5-3-2-4-6-8-10-12-16/h2,4,12H,3,5-11,13-14H2,1H3.
What are the key properties of 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal?
11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal has a molecular weight of 254.37 g/mol, XLogP of 3.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal is sourced from PubChem (CID 72576194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).