2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane

C15H24O2 — CID 70439532

IUPAC2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane
SMILESCC12C=CCCC1CC(OC1CCCCO1)C2
InChIInChI=1S/C15H24O2/c1-15-8-4-2-6-12(15)10-13(11-15)17-14-7-3-5-9-16-14/h4,8,12-14H,2-3,5-7,9-11H2,1H3
InChIKeyCXIFJONOJBLXTP-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.66
Rot. Bonds2

About 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane

2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane (PubChem CID 70439532) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane.

Molecular Properties

Compound Name2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane
PubChem CID70439532
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane
SMILESCC12C=CCCC1CC(OC1CCCCO1)C2
InChIInChI=1S/C15H24O2/c1-15-8-4-2-6-12(15)10-13(11-15)17-14-7-3-5-9-16-14/h4,8,12-14H,2-3,5-7,9-11H2,1H3
InChIKeyCXIFJONOJBLXTP-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane?
The IUPAC name of 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane (CID 70439532) is 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane.
What is the SMILES notation for 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane?
The canonical SMILES for 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane is CC12C=CCCC1CC(OC1CCCCO1)C2.
What is the InChIKey of 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane?
The InChIKey is CXIFJONOJBLXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-15-8-4-2-6-12(15)10-13(11-15)17-14-7-3-5-9-16-14/h4,8,12-14H,2-3,5-7,9-11H2,1H3.
What are the key properties of 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane?
2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane has a molecular weight of 236.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7a-methyl-1,2,3,3a,4,5-hexahydroinden-2-yl)oxy]oxane is sourced from PubChem (CID 70439532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).