6,10,10-trimethylundec-3-en-2-one

C14H26O — CID 54202410

IUPAC6,10,10-trimethylundec-3-en-2-one
SMILESCC(=O)C=CCC(C)CCCC(C)(C)C
InChIInChI=1S/C14H26O/c1-12(8-6-10-13(2)15)9-7-11-14(3,4)5/h6,10,12H,7-9,11H2,1-5H3
InChIKeyPQEHITDGBGNCMA-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.37
Rot. Bonds6

About 6,10,10-trimethylundec-3-en-2-one

6,10,10-trimethylundec-3-en-2-one (PubChem CID 54202410) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 6,10,10-trimethylundec-3-en-2-one.

Molecular Properties

Compound Name6,10,10-trimethylundec-3-en-2-one
PubChem CID54202410
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name6,10,10-trimethylundec-3-en-2-one
SMILESCC(=O)C=CCC(C)CCCC(C)(C)C
InChIInChI=1S/C14H26O/c1-12(8-6-10-13(2)15)9-7-11-14(3,4)5/h6,10,12H,7-9,11H2,1-5H3
InChIKeyPQEHITDGBGNCMA-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-6,9,9-trimethyldec-3-en-2-one
CID 21437534
methyl (2E,4E)-3,7,11,11-tetramethyldodeca-2,4-dienoate
CID 21437723
6,8-dimethylnon-3-en-2-one
CID 54414003
(E)-6-methylhept-3-en-2-one
CID 5462986
(2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 22235072
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
(3E,7S,9E,11E)-7-methyltrideca-3,9,11-trien-2-one
CID 11687113
potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
CID 23666617
propan-2-yl (7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 6710719
propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 5366546
propan-2-yl (2E,4E,7R)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 16722132
6,6-dihydroxyhex-3-en-2-one
CID 91384953

Frequently Asked Questions

What is the IUPAC name of 6,10,10-trimethylundec-3-en-2-one?
The IUPAC name of 6,10,10-trimethylundec-3-en-2-one (CID 54202410) is 6,10,10-trimethylundec-3-en-2-one.
What is the SMILES notation for 6,10,10-trimethylundec-3-en-2-one?
The canonical SMILES for 6,10,10-trimethylundec-3-en-2-one is CC(=O)C=CCC(C)CCCC(C)(C)C.
What is the InChIKey of 6,10,10-trimethylundec-3-en-2-one?
The InChIKey is PQEHITDGBGNCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-12(8-6-10-13(2)15)9-7-11-14(3,4)5/h6,10,12H,7-9,11H2,1-5H3.
What are the key properties of 6,10,10-trimethylundec-3-en-2-one?
6,10,10-trimethylundec-3-en-2-one has a molecular weight of 210.36 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,10-trimethylundec-3-en-2-one is sourced from PubChem (CID 54202410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).