1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one

C12H18O2 — CID 67421038

IUPAC1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one
SMILESCCCCC(=O)C(OC)C1C=CC=C1
InChIInChI=1S/C12H18O2/c1-3-4-9-11(13)12(14-2)10-7-5-6-8-10/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyMMMSNBPEGUISMK-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.50
Rot. Bonds6

About 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one

1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one (PubChem CID 67421038) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one
PubChem CID67421038
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one
SMILESCCCCC(=O)C(OC)C1C=CC=C1
InChIInChI=1S/C12H18O2/c1-3-4-9-11(13)12(14-2)10-7-5-6-8-10/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyMMMSNBPEGUISMK-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one (CID 67421038) is 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one is CCCCC(=O)C(OC)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one?
The InChIKey is MMMSNBPEGUISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-4-9-11(13)12(14-2)10-7-5-6-8-10/h5-8,10,12H,3-4,9H2,1-2H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one?
1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-1-methoxyhexan-2-one is sourced from PubChem (CID 67421038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).