3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one

C10H16O2 — CID 164675992

IUPAC3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one
SMILESCOC1=C(C(C)C)C(=O)C(C)C1
InChIInChI=1S/C10H16O2/c1-6(2)9-8(12-4)5-7(3)10(9)11/h6-7H,5H2,1-4H3
InChIKeyHSAHUUCSNPQSDT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one

3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one (PubChem CID 164675992) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one
PubChem CID164675992
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one
SMILESCOC1=C(C(C)C)C(=O)C(C)C1
InChIInChI=1S/C10H16O2/c1-6(2)9-8(12-4)5-7(3)10(9)11/h6-7H,5H2,1-4H3
InChIKeyHSAHUUCSNPQSDT-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

5-Butyl-3-methoxy-2-cyclopenten-1-one
CID 574327
2-Ethyl-3-methoxy-2-cyclopentenone
CID 580719
3-Ethoxy-2,6-dimethylcyclohex-2-en-1-one
CID 13600083
2-Cyclopentyl-3-methoxy-cyclohex-2-enone
CID 22260071
2-Isopropyl-3-methoxy-cyclohex-2-enone
CID 22260134
2,4,5-Trimethyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
CID 162724305
2-Cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one
CID 12044632
2-Cyclopentyl-3-methoxy-4-methylcyclohex-2-en-1-one
CID 101169308
(5R)-3-methoxy-2,5,6-trimethylcyclohex-2-en-1-one
CID 134894437
cis-3-Methoxy-2,4-dipropylcyclopent-2-en-1-one
CID 155294651
2-Cyclopenten-1-one, 2-butyl-3-methoxy-
CID 581040
3-Methoxy-2,4,6-trimethyl-cyclohex-2-enone
CID 581132

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one (CID 164675992) is 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one is COC1=C(C(C)C)C(=O)C(C)C1.
What is the InChIKey of 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is HSAHUUCSNPQSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)9-8(12-4)5-7(3)10(9)11/h6-7H,5H2,1-4H3.
What are the key properties of 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one?
3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 164675992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).