3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one

C18H26O2 — CID 91444283

IUPAC3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one
SMILESCC=C=C(C)C=CC(OC(C)(C)C(C)=O)=C(C)C=CC
InChIInChI=1S/C18H26O2/c1-8-10-14(3)12-13-17(15(4)11-9-2)20-18(6,7)16(5)19/h8-9,11-13H,1-7H3
InChIKeyUNTQORVWEOHJRX-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.90
Rot. Bonds6

About 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one

3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one (PubChem CID 91444283) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one
PubChem CID91444283
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one
SMILESCC=C=C(C)C=CC(OC(C)(C)C(C)=O)=C(C)C=CC
InChIInChI=1S/C18H26O2/c1-8-10-14(3)12-13-17(15(4)11-9-2)20-18(6,7)16(5)19/h8-9,11-13H,1-7H3
InChIKeyUNTQORVWEOHJRX-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(1E,3E)-hexa-1,3-dienyl]-2-methyl-5-[(E)-prop-1-enyl]furan-3-one
CID 44575740
2,2-Dimethyl-5-(1-propenyl)-3(2H)-furanone
CID 6440085
5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one
CID 11062763
2,2-dimethyl-5-[(2E,6E)-6-methylnona-2,6-dien-2-yl]furan-3-one
CID 60020479
3-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)oxy-3-methylbutan-2-one
CID 70947564
2,2-Dimethyl-5-(6-methylnona-2,6-dien-2-yl)furan-3-one
CID 72624061
ethane;(E)-3-(2-methylcyclohepta-1,3,6-trien-1-yl)oxyhex-3-en-2-one
CID 142819942
1-(2,7-Dimethylcyclohepta-1,3,6-trien-1-yl)oxy-3-methylbutan-2-one
CID 142994915
3-(4-Cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)oxy-3-methylbutan-2-one
CID 164165556
2,2-dimethyl-5-[(E)-pent-2-en-2-yl]furan-3-one
CID 13870389
2,2-dimethyl-5-[(E)-4-methylpent-2-en-2-yl]furan-3-one
CID 13870390
2,2-dimethyl-5-[(Z)-prop-1-enyl]furan-3-one
CID 20839429

Frequently Asked Questions

What is the IUPAC name of 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one?
The IUPAC name of 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one (CID 91444283) is 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one.
What is the SMILES notation for 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one?
The canonical SMILES for 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one is CC=C=C(C)C=CC(OC(C)(C)C(C)=O)=C(C)C=CC.
What is the InChIKey of 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one?
The InChIKey is UNTQORVWEOHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-8-10-14(3)12-13-17(15(4)11-9-2)20-18(6,7)16(5)19/h8-9,11-13H,1-7H3.
What are the key properties of 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one?
3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one has a molecular weight of 274.40 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8-dimethylundeca-2,4,6,8,9-pentaen-5-yloxy)-3-methylbutan-2-one is sourced from PubChem (CID 91444283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).