2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one

C17H30O3 — CID 14975046

IUPAC2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one
SMILESO=C1CCCCCCCCCCC1CCC1OCCO1
InChIInChI=1S/C17H30O3/c18-16-10-8-6-4-2-1-3-5-7-9-15(16)11-12-17-19-13-14-20-17/h15,17H,1-14H2
InChIKeyKPEDLUKPVFSRBG-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.24
Rot. Bonds3

About 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one

2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one (PubChem CID 14975046) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one
PubChem CID14975046
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one
SMILESO=C1CCCCCCCCCCC1CCC1OCCO1
InChIInChI=1S/C17H30O3/c18-16-10-8-6-4-2-1-3-5-7-9-15(16)11-12-17-19-13-14-20-17/h15,17H,1-14H2
InChIKeyKPEDLUKPVFSRBG-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-Methyl-1,3-dioxolan-2-yl)-7-tetradecanone
CID 13600696
(4S,5R,6S)-6-(2-ethyl-1,3-dioxolan-2-yl)-5-(methoxymethoxy)-4-methylheptan-3-one
CID 102211461
2-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexanone
CID 10774339
3-(2-(2-Methyl-1,3-dioxolan-2-yl)ethyl)octan-2-one
CID 25062353
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexanone
CID 11183218
3-[2-(1,3-Dioxolan-2-yl)ethyl]-3-methylcyclohexan-1-one
CID 12452561
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 12452563
3-[3-(1,3-Dioxolan-2-yl)propyl]cycloheptan-1-one
CID 13029105
3-(1,3-Dioxolan-2-ylmethyl)octane-2,7-dione
CID 14732298
2-(3,3-Diethoxypropyl)cyclododecanone
CID 14975045
1,4-Dioxaspiro[4.11]hexadecane-7-carbaldehyde
CID 24976496
1-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]propan-2-one
CID 44603762

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one (CID 14975046) is 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one is O=C1CCCCCCCCCCC1CCC1OCCO1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one?
The InChIKey is KPEDLUKPVFSRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c18-16-10-8-6-4-2-1-3-5-7-9-15(16)11-12-17-19-13-14-20-17/h15,17H,1-14H2.
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one?
2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one has a molecular weight of 282.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)ethyl]cyclododecan-1-one is sourced from PubChem (CID 14975046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).