3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one

C12H20O3 — CID 12617809

IUPAC3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one
SMILESO=C1CCCC(CCCC2OCCO2)C1
InChIInChI=1S/C12H20O3/c13-11-5-1-3-10(9-11)4-2-6-12-14-7-8-15-12/h10,12H,1-9H2
InChIKeySLGOJXQUVTWTES-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds4

About 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one

3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one (PubChem CID 12617809) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one
PubChem CID12617809
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one
SMILESO=C1CCCC(CCCC2OCCO2)C1
InChIInChI=1S/C12H20O3/c13-11-5-1-3-10(9-11)4-2-6-12-14-7-8-15-12/h10,12H,1-9H2
InChIKeySLGOJXQUVTWTES-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one?
The IUPAC name of 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one (CID 12617809) is 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one.
What is the SMILES notation for 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one?
The canonical SMILES for 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one is O=C1CCCC(CCCC2OCCO2)C1.
What is the InChIKey of 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one?
The InChIKey is SLGOJXQUVTWTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-11-5-1-3-10(9-11)4-2-6-12-14-7-8-15-12/h10,12H,1-9H2.
What are the key properties of 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one?
3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one has a molecular weight of 212.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-dioxolan-2-yl)propyl]cyclohexan-1-one is sourced from PubChem (CID 12617809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).