8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene

C8H8O — CID 15469455

IUPAC8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene
SMILESC1=CC2OC1C13CC21C3
InChIInChI=1S/C8H8O/c1-2-6-8-3-7(8,4-8)5(1)9-6/h1-2,5-6H,3-4H2
InChIKeyZHFIXTXSFWLABE-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.10
Rot. Bonds

About 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene

8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene (PubChem CID 15469455) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene.

Molecular Properties

Compound Name8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene
PubChem CID15469455
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene
SMILESC1=CC2OC1C13CC21C3
InChIInChI=1S/C8H8O/c1-2-6-8-3-7(8,4-8)5(1)9-6/h1-2,5-6H,3-4H2
InChIKeyZHFIXTXSFWLABE-UHFFFAOYSA-N
XLogP1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,6S)-7,7,9,9-tetramethyl-8,11-dioxa-10-selenatetracyclo[4.3.1.12,5.01,6]undec-3-ene
CID 139266088
(1R,2R,6R,7S)-2,6-dichloro-3,5,10-trioxatricyclo[5.2.1.02,6]dec-8-en-4-one
CID 101159985
dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate
CID 98156668
(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene
CID 11434937
(1R,2R,4R)-2-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 55288942
(1S,1'R,3R,4'R)-spiro[1,3-dithiolane-2,5'-7-oxabicyclo[2.2.1]hept-2-ene] 1,3-dioxide
CID 122405491
8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol
CID 117100359
2,5,5,6-tetramethyl-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 159846951
(4S)-7-oxabicyclo[2.2.1]hept-2-ene
CID 149332288
[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol
CID 66809111
7-ethyl-7-methyl-2-oxabicyclo[2.2.1]hept-5-ene
CID 89081790
2-tricyclo[1.1.1.01,3]pentanylmethanol
CID 10975409

Frequently Asked Questions

What is the IUPAC name of 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene?
The IUPAC name of 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene (CID 15469455) is 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene.
What is the SMILES notation for 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene?
The canonical SMILES for 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene is C1=CC2OC1C13CC21C3.
What is the InChIKey of 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene?
The InChIKey is ZHFIXTXSFWLABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-6-8-3-7(8,4-8)5(1)9-6/h1-2,5-6H,3-4H2.
What are the key properties of 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene?
8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene has a molecular weight of 120.15 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene is sourced from PubChem (CID 15469455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).