cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone

C12H20O3 — CID 10560494

IUPACcyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone
SMILESCC1(C)OCC(C(=O)C2CCCC2)CO1
InChIInChI=1S/C12H20O3/c1-12(2)14-7-10(8-15-12)11(13)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3
InChIKeyAMACTRLSPPTPSN-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.14
Rot. Bonds2

About cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone

cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone (PubChem CID 10560494) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone
PubChem CID10560494
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namecyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone
SMILESCC1(C)OCC(C(=O)C2CCCC2)CO1
InChIInChI=1S/C12H20O3/c1-12(2)14-7-10(8-15-12)11(13)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3
InChIKeyAMACTRLSPPTPSN-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-Dioxan-2-yl)cyclopentan-1-one
CID 13512116
2-(2-Methyl-1,3-dioxan-2-yl)cyclopentan-1-one
CID 13512117
2-(2-Ethyl-1,3-dioxan-2-yl)cyclopentan-1-one
CID 13512118
2-(5,5-Dimethyl-1,3-dioxan-2-yl)cyclopentan-1-one
CID 13512120
2-(2,5,5-Trimethyl-1,3-dioxan-2-yl)cyclopentan-1-one
CID 13512121
2-(2-Ethyl-5,5-dimethyl-1,3-dioxan-2-yl)cyclopentan-1-one
CID 13512122
(2S)-2-[(4S,5S,6S)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pentan-3-one
CID 51051253
(3R)-3-[4-(1,3-dioxan-2-yl)butyl]-3-methylcyclopentan-1-one
CID 134963486
(4R)-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentane-2,3-dione
CID 134972642
2-(Tetrahydro-2H-pyran-2-yl)cyclopentanone
CID 12424173
2-(2-Pentyl-1,3-dioxolan-2-yl)cyclohexan-1-one
CID 14064897
5-(3-Cyclopentylpropionyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 17942764

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone?
The IUPAC name of cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone (CID 10560494) is cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone.
What is the SMILES notation for cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone?
The canonical SMILES for cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone is CC1(C)OCC(C(=O)C2CCCC2)CO1.
What is the InChIKey of cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone?
The InChIKey is AMACTRLSPPTPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-12(2)14-7-10(8-15-12)11(13)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3.
What are the key properties of cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone?
cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2,2-dimethyl-1,3-dioxan-5-yl)methanone is sourced from PubChem (CID 10560494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).