(3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one

C9H14O3 — CID 11030265

IUPAC(3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one
SMILESC[C@@H]1CCC(=O)C1C1OCCO1
InChIInChI=1S/C9H14O3/c1-6-2-3-7(10)8(6)9-11-4-5-12-9/h6,8-9H,2-5H2,1H3/t6-,8?/m1/s1
InChIKeyUYFISCLSHRKKNS-XPJFZRNWSA-N
MW170.21 g/mol
LogP0.97
Rot. Bonds1

About (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one

(3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one (PubChem CID 11030265) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name(3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one
PubChem CID11030265
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one
SMILESC[C@@H]1CCC(=O)C1C1OCCO1
InChIInChI=1S/C9H14O3/c1-6-2-3-7(10)8(6)9-11-4-5-12-9/h6,8-9H,2-5H2,1H3/t6-,8?/m1/s1
InChIKeyUYFISCLSHRKKNS-XPJFZRNWSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-{1,4-Dioxaspiro[4.4]nonan-6-yl}ethan-1-one
CID 10442114
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 12452563
2-Dimethoxymethyl-3-methylcyclopentanone
CID 129824231
2-(1,3-Dioxolan-2-yl)cyclohexan-1-one
CID 13112457
1-(1,3-Dioxolan-2-yl)-3-methyl-hexan-2-one
CID 55271198
(5R)-5-(1,3-dioxolan-2-ylmethyl)-6-methylheptan-2-one
CID 59012709
3-(1,3-Dioxolan-2-yl)-6-methylheptan-2-one
CID 69044343
1-(1,4-Dioxaspiro[4.4]nonan-9-yl)-2-methylpropan-1-one
CID 89337051
1-(1,3-Dioxolan-2-yl)-3-methylnonan-2-one
CID 130457669
2-(2-Ethoxy-1,3-dioxolan-2-yl)cyclopentan-1-one
CID 145803870
6-(1,3-Dioxolan-2-yl)-5-methylhexan-2-one
CID 167515526
2-(1,3-Dioxolan-2-ylmethyl)cyclopentan-1-one
CID 10442115

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one?
The IUPAC name of (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one (CID 11030265) is (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one.
What is the SMILES notation for (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one?
The canonical SMILES for (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one is C[C@@H]1CCC(=O)C1C1OCCO1.
What is the InChIKey of (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one?
The InChIKey is UYFISCLSHRKKNS-XPJFZRNWSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-2-3-7(10)8(6)9-11-4-5-12-9/h6,8-9H,2-5H2,1H3/t6-,8?/m1/s1.
What are the key properties of (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one?
(3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one has a molecular weight of 170.21 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one is sourced from PubChem (CID 11030265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).