5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C15H27O3P — CID 90904458

IUPAC5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCCC1CC2OC(=O)CC2C1CCC(CCP)OC
InChIInChI=1S/C15H27O3P/c1-3-10-8-14-13(9-15(16)18-14)12(10)5-4-11(17-2)6-7-19/h10-14H,3-9,19H2,1-2H3
InChIKeyPVPUAEVSDSREQM-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.02
Rot. Bonds7

About 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 90904458) has the molecular formula C15H27O3P and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID90904458
Molecular FormulaC15H27O3P
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCCC1CC2OC(=O)CC2C1CCC(CCP)OC
InChIInChI=1S/C15H27O3P/c1-3-10-8-14-13(9-15(16)18-14)12(10)5-4-11(17-2)6-7-19/h10-14H,3-9,19H2,1-2H3
InChIKeyPVPUAEVSDSREQM-UHFFFAOYSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 90904458) is 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CCC1CC2OC(=O)CC2C1CCC(CCP)OC.
What is the InChIKey of 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is PVPUAEVSDSREQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O3P/c1-3-10-8-14-13(9-15(16)18-14)12(10)5-4-11(17-2)6-7-19/h10-14H,3-9,19H2,1-2H3.
What are the key properties of 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 286.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 90904458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).