1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one

C12H18O2 — CID 141182026

IUPAC1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one
SMILESCCCCC(=O)C1(OC)C=CC=CC1
InChIInChI=1S/C12H18O2/c1-3-4-8-11(13)12(14-2)9-6-5-7-10-12/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyJSEFLZIMXKGASO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.65
Rot. Bonds5

About 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one

1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one (PubChem CID 141182026) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one
PubChem CID141182026
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one
SMILESCCCCC(=O)C1(OC)C=CC=CC1
InChIInChI=1S/C12H18O2/c1-3-4-8-11(13)12(14-2)9-6-5-7-10-12/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyJSEFLZIMXKGASO-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Methyl-2,5-dihydropyran-6-yl)pent-4-en-1-one
CID 10607470
1-(1-Decan-4-yloxycyclohexa-2,4-dien-1-yl)pentan-1-one
CID 70585485
1-(1-Decan-4-yloxycyclohexa-2,4-dien-1-yl)propan-1-one
CID 70586324
Methyl 1-(4-decyloxy)phenyl ketone
CID 70587015
1-(1-Decan-4-yloxycyclohexa-2,4-dien-1-yl)-2-methylpropan-1-one
CID 70588012
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)heptan-1-one
CID 149647284
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-8-methylnonan-1-one
CID 149660976
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)decan-1-one
CID 149661448
1-(1-Methoxy-2,3,5-trimethylcyclopenta-2,4-dien-1-yl)butan-1-one
CID 149727985
1-(1-Methoxycyclopenta-2,4-dien-1-yl)-8-methylnonan-1-one
CID 149844633
1-(1-Methoxycyclopenta-2,4-dien-1-yl)decan-1-one
CID 149850110
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
CID 149855314

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one?
The IUPAC name of 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one (CID 141182026) is 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one.
What is the SMILES notation for 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one?
The canonical SMILES for 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one is CCCCC(=O)C1(OC)C=CC=CC1.
What is the InChIKey of 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one?
The InChIKey is JSEFLZIMXKGASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-4-8-11(13)12(14-2)9-6-5-7-10-12/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one?
1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexa-2,4-dien-1-yl)pentan-1-one is sourced from PubChem (CID 141182026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).