2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

C13H22O4 — CID 167120522

IUPAC2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESCOCCOC1CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C13H22O4/c1-14-2-3-15-12-6-10-8-13(9-11(10)7-12)16-4-5-17-13/h10-12H,2-9H2,1H3
InChIKeyFREGLDXQSJZQKD-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.58
Rot. Bonds4

About 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]

2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (PubChem CID 167120522) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].

Molecular Properties

Compound Name2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
PubChem CID167120522
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
SMILESCOCCOC1CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C13H22O4/c1-14-2-3-15-12-6-10-8-13(9-11(10)7-12)16-4-5-17-13/h10-12H,2-9H2,1H3
InChIKeyFREGLDXQSJZQKD-UHFFFAOYSA-N
XLogP1.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.58
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 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The IUPAC name of 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] (CID 167120522) is 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene].
What is the SMILES notation for 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The canonical SMILES for 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is COCCOC1CC2CC3(CC2C1)OCCO3.
What is the InChIKey of 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
The InChIKey is FREGLDXQSJZQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-14-2-3-15-12-6-10-8-13(9-11(10)7-12)16-4-5-17-13/h10-12H,2-9H2,1H3.
What are the key properties of 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]?
2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] has a molecular weight of 242.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-methoxyethoxy)spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene] is sourced from PubChem (CID 167120522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).