1-(1,3-dioxolan-2-yl)pentyl acetate

C10H18O4 — CID 10058668

IUPAC1-(1,3-dioxolan-2-yl)pentyl acetate
SMILESCCCCC(OC(C)=O)C1OCCO1
InChIInChI=1S/C10H18O4/c1-3-4-5-9(14-8(2)11)10-12-6-7-13-10/h9-10H,3-7H2,1-2H3
InChIKeyMLXGMIXJQAPRKJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds5

About 1-(1,3-dioxolan-2-yl)pentyl acetate

1-(1,3-dioxolan-2-yl)pentyl acetate (PubChem CID 10058668) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)pentyl acetate.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)pentyl acetate
PubChem CID10058668
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-(1,3-dioxolan-2-yl)pentyl acetate
SMILESCCCCC(OC(C)=O)C1OCCO1
InChIInChI=1S/C10H18O4/c1-3-4-5-9(14-8(2)11)10-12-6-7-13-10/h9-10H,3-7H2,1-2H3
InChIKeyMLXGMIXJQAPRKJ-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-[(2S)-3,3-dimethyloxiran-2-yl]heptyl] acetate
CID 10443772
1-methoxypentyl acetate
CID 18000534
hexan-2-yl acetate;methane
CID 159910641
3-methylheptan-2-yl acetate
CID 91461140
1-(9-butyl-5,7,12,14-tetraoxo-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1(11),4(8)-dien-2-yl)pentyl acetate
CID 54362918
1-methylsulfonyloxypentyl acetate
CID 141334012
1-morpholin-4-ylhexan-2-yl acetate
CID 22706849
1-acetyloxytetradecyl acetate
CID 88785738
[(5R,6R)-6-trimethylsilyldecan-5-yl] acetate
CID 11778033
1-iodohexan-2-yl acetate
CID 11184782
1-hexan-2-yloxyethyl acetate
CID 87208887
4-acetyloxyoctan-2-yl 2-(oxiran-2-yl)acetate
CID 163433523

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)pentyl acetate?
The IUPAC name of 1-(1,3-dioxolan-2-yl)pentyl acetate (CID 10058668) is 1-(1,3-dioxolan-2-yl)pentyl acetate.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)pentyl acetate?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)pentyl acetate is CCCCC(OC(C)=O)C1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)pentyl acetate?
The InChIKey is MLXGMIXJQAPRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-4-5-9(14-8(2)11)10-12-6-7-13-10/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)pentyl acetate?
1-(1,3-dioxolan-2-yl)pentyl acetate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)pentyl acetate is sourced from PubChem (CID 10058668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).