1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate

C15H28O4 — CID 90729470

IUPAC1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate
SMILESCC(=O)OCC1COCO1.CCC1CCC(CC)C1
InChIInChI=1S/C9H18.C6H10O4/c1-3-8-5-6-9(4-2)7-8;1-5(7)9-3-6-2-8-4-10-6/h8-9H,3-7H2,1-2H3;6H,2-4H2,1H3
InChIKeyZGQOUELTFWAOPX-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.15
Rot. Bonds4

About 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate

1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate (PubChem CID 90729470) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate.

Molecular Properties

Compound Name1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate
PubChem CID90729470
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate
SMILESCC(=O)OCC1COCO1.CCC1CCC(CC)C1
InChIInChI=1S/C9H18.C6H10O4/c1-3-8-5-6-9(4-2)7-8;1-5(7)9-3-6-2-8-4-10-6/h8-9H,3-7H2,1-2H3;6H,2-4H2,1H3
InChIKeyZGQOUELTFWAOPX-UHFFFAOYSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropylmethyl acetate
CID 538333
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
4-ethyl-1,3-dioxolane;methane
CID 158064342
(5-formyloxan-2-yl)methyl acetate
CID 123948440
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591
1,3-diethylcyclopentane
CID 530396
(4-acetyloxyoxan-2-yl)methyl acetate;thiohypobromous acid
CID 167512910
bis(oxiran-2-ylmethyl) 2-ethylpropanedioate
CID 141095093
oxiran-2-ylmethyl 3-acetyloxypropanoate
CID 21339917
6-ethyl-1,3,5-trioxepane
CID 139790395

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate?
The IUPAC name of 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate (CID 90729470) is 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate.
What is the SMILES notation for 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate?
The canonical SMILES for 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate is CC(=O)OCC1COCO1.CCC1CCC(CC)C1.
What is the InChIKey of 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate?
The InChIKey is ZGQOUELTFWAOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C6H10O4/c1-3-8-5-6-9(4-2)7-8;1-5(7)9-3-6-2-8-4-10-6/h8-9H,3-7H2,1-2H3;6H,2-4H2,1H3.
What are the key properties of 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate?
1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate has a molecular weight of 272.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylcyclopentane;1,3-dioxolan-4-ylmethyl acetate is sourced from PubChem (CID 90729470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).