(E)-10-methoxy-7,7-dimethyldec-9-en-5-one

C13H24O2 — CID 12757741

IUPAC(E)-10-methoxy-7,7-dimethyldec-9-en-5-one
SMILESCCCCC(=O)CC(C)(C)C/C=C/OC
InChIInChI=1S/C13H24O2/c1-5-6-8-12(14)11-13(2,3)9-7-10-15-4/h7,10H,5-6,8-9,11H2,1-4H3/b10-7+
InChIKeyUXDXCGPABMVXLT-JXMROGBWSA-N
MW212.33 g/mol
LogP3.71
Rot. Bonds8

About (E)-10-methoxy-7,7-dimethyldec-9-en-5-one

(E)-10-methoxy-7,7-dimethyldec-9-en-5-one (PubChem CID 12757741) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (E)-10-methoxy-7,7-dimethyldec-9-en-5-one.

Molecular Properties

Compound Name(E)-10-methoxy-7,7-dimethyldec-9-en-5-one
PubChem CID12757741
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(E)-10-methoxy-7,7-dimethyldec-9-en-5-one
SMILESCCCCC(=O)CC(C)(C)C/C=C/OC
InChIInChI=1S/C13H24O2/c1-5-6-8-12(14)11-13(2,3)9-7-10-15-4/h7,10H,5-6,8-9,11H2,1-4H3/b10-7+
InChIKeyUXDXCGPABMVXLT-JXMROGBWSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-Isopropenyloxymethylene-3,3-dimethyl-cyclohexanone
CID 606492
(E)-10-methoxydec-9-en-5-one
CID 12757740
(E)-1-methoxynon-1-en-5-one
CID 12757752
(E)-1-methoxy-3,3-dimethylnon-1-en-5-one
CID 134907473
(5E)-5-[(Isopropenyloxy)methylene]-3,3-dimethylcyclohexanone
CID 5375341
(5Z)-3,3-dimethyl-5-(prop-1-en-2-yloxymethylidene)cyclohexan-1-one
CID 12087101
1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclohexane-1-carbaldehyde
CID 13218022
2-[(E)-3-ethoxyprop-2-enyl]-2-methylcyclohexane-1,3-dione
CID 13218031
2-acetyl-2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one
CID 13218035
4,4-Dimethylnon-1-en-5-one
CID 11446559
2,6,6-Trimethylnona-1,8-dien-5-one
CID 11745241
3-[(E)-2-methoxyethenyl]-3-methylhex-5-en-2-one
CID 20501678

Frequently Asked Questions

What is the IUPAC name of (E)-10-methoxy-7,7-dimethyldec-9-en-5-one?
The IUPAC name of (E)-10-methoxy-7,7-dimethyldec-9-en-5-one (CID 12757741) is (E)-10-methoxy-7,7-dimethyldec-9-en-5-one.
What is the SMILES notation for (E)-10-methoxy-7,7-dimethyldec-9-en-5-one?
The canonical SMILES for (E)-10-methoxy-7,7-dimethyldec-9-en-5-one is CCCCC(=O)CC(C)(C)C/C=C/OC.
What is the InChIKey of (E)-10-methoxy-7,7-dimethyldec-9-en-5-one?
The InChIKey is UXDXCGPABMVXLT-JXMROGBWSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-6-8-12(14)11-13(2,3)9-7-10-15-4/h7,10H,5-6,8-9,11H2,1-4H3/b10-7+.
What are the key properties of (E)-10-methoxy-7,7-dimethyldec-9-en-5-one?
(E)-10-methoxy-7,7-dimethyldec-9-en-5-one has a molecular weight of 212.33 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-methoxy-7,7-dimethyldec-9-en-5-one is sourced from PubChem (CID 12757741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).