1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one

C11H16O2 — CID 143537901

IUPAC1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one
SMILESCC(=O)COC1=C(C)CCC=C1C
InChIInChI=1S/C11H16O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h5H,4,6-7H2,1-3H3
InChIKeyWORDMXKYZXWXJL-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.61
Rot. Bonds3

About 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one

1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one (PubChem CID 143537901) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one
PubChem CID143537901
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one
SMILESCC(=O)COC1=C(C)CCC=C1C
InChIInChI=1S/C11H16O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h5H,4,6-7H2,1-3H3
InChIKeyWORDMXKYZXWXJL-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 68173363
1-[(3E)-3-fluoro-4,5-dimethylcycloocta-1,3,7-trien-1-yl]oxypropan-2-one
CID 173894457
1-[(E)-3-methylhex-2-enoxy]butan-2-one
CID 134896029
1-Cyclohexa-1,5-dien-1-yloxypropan-2-one
CID 23166254
(3-Ethoxycyclohexa-2,4-dien-1-ylidene)methanone
CID 53843626
1-(4-Tert-butylbenzene-6-id-1-yl)oxypropan-2-one;rhodium
CID 58700455
1-(3,5-Dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium
CID 58711671
3-(3,5-Dimethylbenzene-4-id-1-yl)oxybutan-2-one;yttrium
CID 58711672
Carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium
CID 59905131
1-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanone
CID 66753469
1-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanone
CID 66971106
1-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-2-one
CID 87857724

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one?
The IUPAC name of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one (CID 143537901) is 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one.
What is the SMILES notation for 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one?
The canonical SMILES for 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one is CC(=O)COC1=C(C)CCC=C1C.
What is the InChIKey of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one?
The InChIKey is WORDMXKYZXWXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h5H,4,6-7H2,1-3H3.
What are the key properties of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one?
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one is sourced from PubChem (CID 143537901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).