methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate

C14H24O4 — CID 69075549

IUPACmethyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
SMILESCCCCCOC12CCCC1(C(=O)OC)CCO2
InChIInChI=1S/C14H24O4/c1-3-4-5-10-17-14-8-6-7-13(14,9-11-18-14)12(15)16-2/h3-11H2,1-2H3
InChIKeySDLFCQZCKJELDV-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.65
Rot. Bonds6

About methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate

methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate (PubChem CID 69075549) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate.

Molecular Properties

Compound Namemethyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
PubChem CID69075549
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
SMILESCCCCCOC12CCCC1(C(=O)OC)CCO2
InChIInChI=1S/C14H24O4/c1-3-4-5-10-17-14-8-6-7-13(14,9-11-18-14)12(15)16-2/h3-11H2,1-2H3
InChIKeySDLFCQZCKJELDV-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The IUPAC name of methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate (CID 69075549) is methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate.
What is the SMILES notation for methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The canonical SMILES for methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate is CCCCCOC12CCCC1(C(=O)OC)CCO2.
What is the InChIKey of methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
The InChIKey is SDLFCQZCKJELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-4-5-10-17-14-8-6-7-13(14,9-11-18-14)12(15)16-2/h3-11H2,1-2H3.
What are the key properties of methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate?
methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6a-pentoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate is sourced from PubChem (CID 69075549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).