9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene

C14H24O — CID 58353552

IUPAC9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene
SMILESCC(C)C1(C(C)C)C2C=CC1COCC2
InChIInChI=1S/C14H24O/c1-10(2)14(11(3)4)12-5-6-13(14)9-15-8-7-12/h5-6,10-13H,7-9H2,1-4H3
InChIKeyUVDNUSLRHAAYRP-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.51
Rot. Bonds2

About 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene

9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene (PubChem CID 58353552) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene.

Molecular Properties

Compound Name9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene
PubChem CID58353552
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene
SMILESCC(C)C1(C(C)C)C2C=CC1COCC2
InChIInChI=1S/C14H24O/c1-10(2)14(11(3)4)12-5-6-13(14)9-15-8-7-12/h5-6,10-13H,7-9H2,1-4H3
InChIKeyUVDNUSLRHAAYRP-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.51
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 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene?
The IUPAC name of 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene (CID 58353552) is 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene.
What is the SMILES notation for 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene?
The canonical SMILES for 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene is CC(C)C1(C(C)C)C2C=CC1COCC2.
What is the InChIKey of 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene?
The InChIKey is UVDNUSLRHAAYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10(2)14(11(3)4)12-5-6-13(14)9-15-8-7-12/h5-6,10-13H,7-9H2,1-4H3.
What are the key properties of 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene?
9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene has a molecular weight of 208.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-di(propan-2-yl)-3-oxabicyclo[4.2.1]non-7-ene is sourced from PubChem (CID 58353552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).