1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one

C10H18O4 — CID 10774464

IUPAC1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCOCC(=O)CCCC1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-10(13-6-7-14-10)5-3-4-9(11)8-12-2/h3-8H2,1-2H3
InChIKeyXOEKATJEKGCIEP-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.14
Rot. Bonds6

About 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one

1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one (PubChem CID 10774464) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
PubChem CID10774464
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCOCC(=O)CCCC1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-10(13-6-7-14-10)5-3-4-9(11)8-12-2/h3-8H2,1-2H3
InChIKeyXOEKATJEKGCIEP-UHFFFAOYSA-N
XLogP1.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-Methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate
CID 10537412
1-Pentanone, 1-(2-methyl-1,3-dioxolan-2-yl)-
CID 12296891
(5S)-5-hydroxy-1-(2-methyl-1,3-dioxolan-2-yl)heptan-4-one
CID 14444543
5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-2-one
CID 101443242
Ethyl 5-oxohexanoate ethyleneacetal
CID 129738542
4-(2-Methyl-1,3-dioxolan-2-yl)-1-[(2rs,3sr)-3-methyloxiranyl]butan-1-one
CID 129738592
2-Hexadecanone, 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-
CID 537250
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-2-heptadecanone
CID 538731
1-(2-Methyl-1,3-dioxolan-2-yl)heptan-4-one
CID 14905213
6,6-Diethoxyheptane-2,5-dione
CID 15274605
5-(2-Methyl-1,3-dioxolan-2-yl)-2-pentanone
CID 10419628
5-(2,4-Dimethyl-1,3-dioxolan-2-yl)pentan-2-one
CID 21388062

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
The IUPAC name of 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one (CID 10774464) is 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one.
What is the SMILES notation for 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
The canonical SMILES for 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one is COCC(=O)CCCC1(C)OCCO1.
What is the InChIKey of 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
The InChIKey is XOEKATJEKGCIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(13-6-7-14-10)5-3-4-9(11)8-12-2/h3-8H2,1-2H3.
What are the key properties of 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one has a molecular weight of 202.25 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one is sourced from PubChem (CID 10774464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).