(5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one

C15H26O3 — CID 102155837

IUPAC(5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one
SMILESC=CCC(C/C=C/CCC(C)=O)(COC)COC
InChIInChI=1S/C15H26O3/c1-5-10-15(12-17-3,13-18-4)11-8-6-7-9-14(2)16/h5-6,8H,1,7,9-13H2,2-4H3/b8-6+
InChIKeyIFVCPZRCAKQDBN-SOFGYWHQSA-N
MW254.37 g/mol
LogP3.16
Rot. Bonds11

About (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one

(5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one (PubChem CID 102155837) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one.

Molecular Properties

Compound Name(5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one
PubChem CID102155837
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one
SMILESC=CCC(C/C=C/CCC(C)=O)(COC)COC
InChIInChI=1S/C15H26O3/c1-5-10-15(12-17-3,13-18-4)11-8-6-7-9-14(2)16/h5-6,8H,1,7,9-13H2,2-4H3/b8-6+
InChIKeyIFVCPZRCAKQDBN-SOFGYWHQSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one with MolForge

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

Launch Full Analysis

Related Compounds

2,4-Pentanedione, 3,3-di-2-butenyl-
CID 5363714
1-[1-(Methoxymethyl)cyclopent-3-en-1-yl]ethan-1-one
CID 146155620
3-methyl-3-[(2E,6Z)-nona-2,6-dienyl]pentane-2,4-dione
CID 134968539
3,3-Bis(but-2-enyl)pentane-2,4-dione
CID 539027
(E)-3-methyl-3-prop-2-enyloct-4-en-2-one
CID 20501691
(E)-3-methyl-3-[(E)-prop-1-enyl]hept-5-en-2-one
CID 20501693
(E)-3-ethenyl-3-ethylhept-5-en-2-one
CID 20501694
(4E)-3-methyl-3-prop-2-enylocta-4,7-dien-2-one
CID 20501704
(E)-3-ethenyl-3-methylhept-5-en-2-one
CID 20501706
(E)-3-ethyl-3-prop-2-enylhex-4-en-2-one
CID 20501712
(E)-3-ethyl-3-[(E)-prop-1-enyl]hept-5-en-2-one
CID 20501735
(E)-3-methyl-3-prop-2-enylhept-4-en-2-one
CID 20501773

Frequently Asked Questions

What is the IUPAC name of (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one?
The IUPAC name of (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one (CID 102155837) is (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one.
What is the SMILES notation for (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one?
The canonical SMILES for (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one is C=CCC(C/C=C/CCC(C)=O)(COC)COC.
What is the InChIKey of (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one?
The InChIKey is IFVCPZRCAKQDBN-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-10-15(12-17-3,13-18-4)11-8-6-7-9-14(2)16/h5-6,8H,1,7,9-13H2,2-4H3/b8-6+.
What are the key properties of (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one?
(5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one has a molecular weight of 254.37 g/mol, XLogP of 3.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-8,8-bis(methoxymethyl)undeca-5,10-dien-2-one is sourced from PubChem (CID 102155837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).