(5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate

C15H24O4 — CID 123679642

IUPAC(5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate
SMILESCCCC(C)C(=O)OCC1OC(=O)C2CC(C)CC12
InChIInChI=1S/C15H24O4/c1-4-5-10(3)14(16)18-8-13-11-6-9(2)7-12(11)15(17)19-13/h9-13H,4-8H2,1-3H3
InChIKeyVZOQKSORGLADDI-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.55
Rot. Bonds5

About (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate

(5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate (PubChem CID 123679642) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate.

Molecular Properties

Compound Name(5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate
PubChem CID123679642
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate
SMILESCCCC(C)C(=O)OCC1OC(=O)C2CC(C)CC12
InChIInChI=1S/C15H24O4/c1-4-5-10(3)14(16)18-8-13-11-6-9(2)7-12(11)15(17)19-13/h9-13H,4-8H2,1-3H3
InChIKeyVZOQKSORGLADDI-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate?
The IUPAC name of (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate (CID 123679642) is (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate.
What is the SMILES notation for (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate?
The canonical SMILES for (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate is CCCC(C)C(=O)OCC1OC(=O)C2CC(C)CC12.
What is the InChIKey of (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate?
The InChIKey is VZOQKSORGLADDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-5-10(3)14(16)18-8-13-11-6-9(2)7-12(11)15(17)19-13/h9-13H,4-8H2,1-3H3.
What are the key properties of (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate?
(5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate has a molecular weight of 268.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)methyl 2-methylpentanoate is sourced from PubChem (CID 123679642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).