2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one

C15H24O2 — CID 67345072

IUPAC2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one
SMILESCCCCC1=C(CCCC)C(OC)=CCC1=O
InChIInChI=1S/C15H24O2/c1-4-6-8-12-13(9-7-5-2)15(17-3)11-10-14(12)16/h11H,4-10H2,1-3H3
InChIKeyAGZCBPWTYICHDG-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.17
Rot. Bonds7

About 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one

2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one (PubChem CID 67345072) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one
PubChem CID67345072
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one
SMILESCCCCC1=C(CCCC)C(OC)=CCC1=O
InChIInChI=1S/C15H24O2/c1-4-6-8-12-13(9-7-5-2)15(17-3)11-10-14(12)16/h11H,4-10H2,1-3H3
InChIKeyAGZCBPWTYICHDG-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one (CID 67345072) is 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one is CCCCC1=C(CCCC)C(OC)=CCC1=O.
What is the InChIKey of 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one?
The InChIKey is AGZCBPWTYICHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-6-8-12-13(9-7-5-2)15(17-3)11-10-14(12)16/h11H,4-10H2,1-3H3.
What are the key properties of 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one?
2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one has a molecular weight of 236.35 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4-methoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 67345072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).