1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene

C13H20O — CID 14040625

IUPAC1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
SMILESCC(C)OC12C=CC(C=C1)CCCC2
InChIInChI=1S/C13H20O/c1-11(2)14-13-8-4-3-5-12(6-9-13)7-10-13/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyJAVWIIXSXSXNLM-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.47
Rot. Bonds2

About 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene

1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene (PubChem CID 14040625) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene.

Molecular Properties

Compound Name1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
PubChem CID14040625
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
SMILESCC(C)OC12C=CC(C=C1)CCCC2
InChIInChI=1S/C13H20O/c1-11(2)14-13-8-4-3-5-12(6-9-13)7-10-13/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyJAVWIIXSXSXNLM-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
The IUPAC name of 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene (CID 14040625) is 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene.
What is the SMILES notation for 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
The canonical SMILES for 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene is CC(C)OC12C=CC(C=C1)CCCC2.
What is the InChIKey of 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
The InChIKey is JAVWIIXSXSXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11(2)14-13-8-4-3-5-12(6-9-13)7-10-13/h6-7,9-12H,3-5,8H2,1-2H3.
What are the key properties of 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene has a molecular weight of 192.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene is sourced from PubChem (CID 14040625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).