2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one

C15H24O3 — CID 70998728

IUPAC2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one
SMILESCCCC1(C2(C)C=C(CC)C(=O)CC2)OCCO1
InChIInChI=1S/C15H24O3/c1-4-7-15(17-9-10-18-15)14(3)8-6-13(16)12(5-2)11-14/h11H,4-10H2,1-3H3
InChIKeyLGINUJRBHASDOP-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.24
Rot. Bonds4

About 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one

2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one (PubChem CID 70998728) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one
PubChem CID70998728
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one
SMILESCCCC1(C2(C)C=C(CC)C(=O)CC2)OCCO1
InChIInChI=1S/C15H24O3/c1-4-7-15(17-9-10-18-15)14(3)8-6-13(16)12(5-2)11-14/h11H,4-10H2,1-3H3
InChIKeyLGINUJRBHASDOP-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one (CID 70998728) is 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one is CCCC1(C2(C)C=C(CC)C(=O)CC2)OCCO1.
What is the InChIKey of 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one?
The InChIKey is LGINUJRBHASDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-7-15(17-9-10-18-15)14(3)8-6-13(16)12(5-2)11-14/h11H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one?
2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one has a molecular weight of 252.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-4-(2-propyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 70998728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).