4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one

C12H20O2 — CID 91276641

IUPAC4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one
SMILESCC(C)OC(C)C1(C)C=CC(=O)CC1
InChIInChI=1S/C12H20O2/c1-9(2)14-10(3)12(4)7-5-11(13)6-8-12/h5,7,9-10H,6,8H2,1-4H3
InChIKeyPQAJOIQVVYTSPX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.73
Rot. Bonds3

About 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one

4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one (PubChem CID 91276641) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one
PubChem CID91276641
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one
SMILESCC(C)OC(C)C1(C)C=CC(=O)CC1
InChIInChI=1S/C12H20O2/c1-9(2)14-10(3)12(4)7-5-11(13)6-8-12/h5,7,9-10H,6,8H2,1-4H3
InChIKeyPQAJOIQVVYTSPX-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one?
The IUPAC name of 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one (CID 91276641) is 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one?
The canonical SMILES for 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one is CC(C)OC(C)C1(C)C=CC(=O)CC1.
What is the InChIKey of 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one?
The InChIKey is PQAJOIQVVYTSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)14-10(3)12(4)7-5-11(13)6-8-12/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one?
4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(1-propan-2-yloxyethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 91276641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).