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

C15H26O3 — CID 59841782

IUPAC(Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal
SMILESCC1(CCCCC/C=C\CCCC=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/b4-2-
InChIKeyJVHRVHFVYMZXSR-RQOWECAXSA-N
MW254.37 g/mol
LogP3.63
Rot. Bonds10

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

(Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal (PubChem CID 59841782) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal.

Molecular Properties

Compound Name(Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal
PubChem CID59841782
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal
SMILESCC1(CCCCC/C=C\CCCC=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/b4-2-
InChIKeyJVHRVHFVYMZXSR-RQOWECAXSA-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'}

Analyze (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal?
The IUPAC name of (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal (CID 59841782) is (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal.
What is the SMILES notation for (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal?
The canonical SMILES for (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal is CC1(CCCCC/C=C\CCCC=O)OCCO1.
What is the InChIKey of (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal?
The InChIKey is JVHRVHFVYMZXSR-RQOWECAXSA-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/b4-2-.
What are the key properties of (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal?
(Z)-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 (Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-enal is sourced from PubChem (CID 59841782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).