cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone

C13H18O2 — CID 150802725

IUPACcyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone
SMILESCOC1(C(=O)C2CCCCC2)C=CC=C1
InChIInChI=1S/C13H18O2/c1-15-13(9-5-6-10-13)12(14)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyKGFCMAVRFUZTSA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.65
Rot. Bonds3

About cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone

cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone (PubChem CID 150802725) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone
PubChem CID150802725
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Namecyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone
SMILESCOC1(C(=O)C2CCCCC2)C=CC=C1
InChIInChI=1S/C13H18O2/c1-15-13(9-5-6-10-13)12(14)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyKGFCMAVRFUZTSA-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone?
The IUPAC name of cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone (CID 150802725) is cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone?
The canonical SMILES for cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone is COC1(C(=O)C2CCCCC2)C=CC=C1.
What is the InChIKey of cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone?
The InChIKey is KGFCMAVRFUZTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-15-13(9-5-6-10-13)12(14)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone?
cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone has a molecular weight of 206.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-methoxycyclopenta-2,4-dien-1-yl)methanone is sourced from PubChem (CID 150802725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).