2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one

C16H24O3 — CID 15414495

IUPAC2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one
SMILESCC1(CCC2C(C3=CCCC3=O)C2(C)C)OCCO1
InChIInChI=1S/C16H24O3/c1-15(2)12(7-8-16(3)18-9-10-19-16)14(15)11-5-4-6-13(11)17/h5,12,14H,4,6-10H2,1-3H3
InChIKeyIBUZGUBLGATAOF-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.09
Rot. Bonds4

About 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one

2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one (PubChem CID 15414495) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one
PubChem CID15414495
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one
SMILESCC1(CCC2C(C3=CCCC3=O)C2(C)C)OCCO1
InChIInChI=1S/C16H24O3/c1-15(2)12(7-8-16(3)18-9-10-19-16)14(15)11-5-4-6-13(11)17/h5,12,14H,4,6-10H2,1-3H3
InChIKeyIBUZGUBLGATAOF-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one (CID 15414495) is 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one is CC1(CCC2C(C3=CCCC3=O)C2(C)C)OCCO1.
What is the InChIKey of 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one?
The InChIKey is IBUZGUBLGATAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-15(2)12(7-8-16(3)18-9-10-19-16)14(15)11-5-4-6-13(11)17/h5,12,14H,4,6-10H2,1-3H3.
What are the key properties of 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one?
2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one is sourced from PubChem (CID 15414495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).