2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one

C10H16O3 — CID 102370099

IUPAC2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1CC1OCCCO1
InChIInChI=1S/C10H16O3/c11-9-4-1-3-8(9)7-10-12-5-2-6-13-10/h8,10H,1-7H2
InChIKeyCOAADJXDGACZJK-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds2

About 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one

2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one (PubChem CID 102370099) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one
PubChem CID102370099
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one
SMILESO=C1CCCC1CC1OCCCO1
InChIInChI=1S/C10H16O3/c11-9-4-1-3-8(9)7-10-12-5-2-6-13-10/h8,10H,1-7H2
InChIKeyCOAADJXDGACZJK-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-Diethoxyethyl)cyclohexanone
CID 568502
3-(1,3-Dioxan-2-yl)cyclohexanone
CID 14388142
1-Cyclohexyl-3-(1,3-dioxan-2-yl)propan-1-one
CID 102370090
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-(1,3-Dioxan-2-yl)cyclohexan-1-one
CID 13512124
1-(1,3-Dioxan-2-yl)-6-methylheptan-3-one
CID 102370088
2-(1,3-Dioxan-2-ylmethyl)cyclohexan-1-one
CID 102370100
2-(1,3-Dioxan-2-ylmethyl)cycloheptan-1-one
CID 102370101

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one?
The IUPAC name of 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one (CID 102370099) is 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one?
The canonical SMILES for 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one is O=C1CCCC1CC1OCCCO1.
What is the InChIKey of 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one?
The InChIKey is COAADJXDGACZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-4-1-3-8(9)7-10-12-5-2-6-13-10/h8,10H,1-7H2.
What are the key properties of 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one?
2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 102370099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).