(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate

C15H24O6 — CID 77273169

IUPAC(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
SMILESCCCCC(=O)OC1COC2C(OC(=O)CCC)COC12
InChIInChI=1S/C15H24O6/c1-3-5-7-13(17)21-11-9-19-14-10(8-18-15(11)14)20-12(16)6-4-2/h10-11,14-15H,3-9H2,1-2H3
InChIKeyROJOQWZWNNXBQI-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.60
Rot. Bonds7

About (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate

(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate (PubChem CID 77273169) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate.

Molecular Properties

Compound Name(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
PubChem CID77273169
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
SMILESCCCCC(=O)OC1COC2C(OC(=O)CCC)COC12
InChIInChI=1S/C15H24O6/c1-3-5-7-13(17)21-11-9-19-14-10(8-18-15(11)14)20-12(16)6-4-2/h10-11,14-15H,3-9H2,1-2H3
InChIKeyROJOQWZWNNXBQI-UHFFFAOYSA-N
XLogP1.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate with MolForge

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Related Compounds

ethane;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
CID 176936995
[(3R,6R)-3-pentoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] heptanoate
CID 143843117
[6-(3-cyanatopropanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] butanoate
CID 118403206
[6-[8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[[3-[(3-ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoate;[6-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-(3-octyloxiran-2-yl)octanoate;[6-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate
CID 161375354
[6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate
CID 59456178
5-[[(3S,3aR,6S,6aR)-3-(5-oxohexanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-oxopentanoic acid
CID 118404310
4-[[(3S,3aR,6R,6aR)-6-(3-carboxypropanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-oxobutanoic acid
CID 90139075
[6-[4-[bis(2-hydroxydecyl)amino]butanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[bis(2-hydroxydecyl)amino]butanoate
CID 176659205
(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
[(3S,4S,5R)-5,6-di(butanoyloxy)-4-butoxyoxan-3-yl] butanoate
CID 167023934
[(3R,6R,6aR)-6-[5-(dihydroxyamino)oxyhexanoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 5-(dihydroxyamino)oxyhexanoate
CID 89160595
oxetan-3-yl pentanoate
CID 54206985

Frequently Asked Questions

What is the IUPAC name of (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
The IUPAC name of (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate (CID 77273169) is (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate.
What is the SMILES notation for (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
The canonical SMILES for (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate is CCCCC(=O)OC1COC2C(OC(=O)CCC)COC12.
What is the InChIKey of (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
The InChIKey is ROJOQWZWNNXBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-3-5-7-13(17)21-11-9-19-14-10(8-18-15(11)14)20-12(16)6-4-2/h10-11,14-15H,3-9H2,1-2H3.
What are the key properties of (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate?
(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate has a molecular weight of 300.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate is sourced from PubChem (CID 77273169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).