1-cyclohexa-1,5-dien-1-yloxypropan-2-one

C9H12O2 — CID 23166254

IUPAC1-cyclohexa-1,5-dien-1-yloxypropan-2-one
SMILESCC(=O)COC1=CCCC=C1
InChIInChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h3,5-6H,2,4,7H2,1H3
InChIKeyKCTIRGMOFPJZJG-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yloxypropan-2-one

1-cyclohexa-1,5-dien-1-yloxypropan-2-one (PubChem CID 23166254) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yloxypropan-2-one.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yloxypropan-2-one
PubChem CID23166254
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-cyclohexa-1,5-dien-1-yloxypropan-2-one
SMILESCC(=O)COC1=CCCC=C1
InChIInChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h3,5-6H,2,4,7H2,1H3
InChIKeyKCTIRGMOFPJZJG-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxycyclohexa-1,3-diene;propanoic acid
CID 174731082
methyl 5-cyclohexa-1,5-dien-1-yloxy-2,2-dimethylpentanoate
CID 21280339
(1-amino-3-cyclohexa-1,5-dien-1-yloxypropan-2-yl) 2-methylprop-2-enoate
CID 142355311
2-heptoxycyclohexa-1,3-diene
CID 21485321
2-cyclopenta-1,4-dien-1-yloxyacetic acid
CID 137195901
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
cyclohexa-1,5-dien-1-yl 4-oxobutanoate
CID 166464886
cyclohexa-1,5-dien-1-yl formate
CID 21076533
1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477
cyclohexa-1,5-dien-1-yl 2-(diaminomethylideneamino)acetate
CID 174379121
1-(3-cyclohexa-1,5-dien-1-yloxypropoxy)-2-methylbenzene
CID 70909815
2-(2-ethylhexoxy)cyclohexa-1,3-diene
CID 19850583

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yloxypropan-2-one?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yloxypropan-2-one (CID 23166254) is 1-cyclohexa-1,5-dien-1-yloxypropan-2-one.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yloxypropan-2-one?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yloxypropan-2-one is CC(=O)COC1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yloxypropan-2-one?
The InChIKey is KCTIRGMOFPJZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h3,5-6H,2,4,7H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yloxypropan-2-one?
1-cyclohexa-1,5-dien-1-yloxypropan-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yloxypropan-2-one is sourced from PubChem (CID 23166254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).