6-methoxy-5,7-dimethylcyclohept-2-en-1-one

C10H16O2 — CID 72951799

IUPAC6-methoxy-5,7-dimethylcyclohept-2-en-1-one
SMILESCOC1C(C)CC=CC(=O)C1C
InChIInChI=1S/C10H16O2/c1-7-5-4-6-9(11)8(2)10(7)12-3/h4,6-8,10H,5H2,1-3H3
InChIKeyXHZSIWFSLVZDKM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.80
Rot. Bonds1

About 6-methoxy-5,7-dimethylcyclohept-2-en-1-one

6-methoxy-5,7-dimethylcyclohept-2-en-1-one (PubChem CID 72951799) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-methoxy-5,7-dimethylcyclohept-2-en-1-one.

Molecular Properties

Compound Name6-methoxy-5,7-dimethylcyclohept-2-en-1-one
PubChem CID72951799
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-methoxy-5,7-dimethylcyclohept-2-en-1-one
SMILESCOC1C(C)CC=CC(=O)C1C
InChIInChI=1S/C10H16O2/c1-7-5-4-6-9(11)8(2)10(7)12-3/h4,6-8,10H,5H2,1-3H3
InChIKeyXHZSIWFSLVZDKM-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44410028
(E)-7-(hydroxymethyl)undec-4-en-6-one
CID 121007736
6-Methoxycyclohept-2-en-1-one
CID 130029856
6-Hydroxy-7,7-dimethylcyclohept-2-en-1-one
CID 21727343
(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one
CID 20687575
3-(5-Methoxyhept-1-enyl)cyclohexan-1-one
CID 54033328
(4S,5E)-4-[(1R,2R)-1-methoxy-2-methylbut-3-enyl]-5,9-dimethyldeca-1,5-dien-3-one
CID 60115106
(4R,5R,6S)-5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one
CID 60115108
(E)-1-cyclohex-3-en-1-yl-5-methoxy-2-methylhept-2-en-1-one
CID 68213101
(2E,6E)-10-hydroxy-5,9-dimethyldodeca-2,6-diene-4,8-dione
CID 88878273
(2E,6E)-10-hydroxy-5,9-dimethyltrideca-2,6-diene-4,8-dione
CID 88950357
5-Methoxy-3,6-dimethylcyclohex-2-en-1-one
CID 91490765

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5,7-dimethylcyclohept-2-en-1-one?
The IUPAC name of 6-methoxy-5,7-dimethylcyclohept-2-en-1-one (CID 72951799) is 6-methoxy-5,7-dimethylcyclohept-2-en-1-one.
What is the SMILES notation for 6-methoxy-5,7-dimethylcyclohept-2-en-1-one?
The canonical SMILES for 6-methoxy-5,7-dimethylcyclohept-2-en-1-one is COC1C(C)CC=CC(=O)C1C.
What is the InChIKey of 6-methoxy-5,7-dimethylcyclohept-2-en-1-one?
The InChIKey is XHZSIWFSLVZDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-4-6-9(11)8(2)10(7)12-3/h4,6-8,10H,5H2,1-3H3.
What are the key properties of 6-methoxy-5,7-dimethylcyclohept-2-en-1-one?
6-methoxy-5,7-dimethylcyclohept-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5,7-dimethylcyclohept-2-en-1-one is sourced from PubChem (CID 72951799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).