8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene

C15H16O — CID 123166540

IUPAC8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene
SMILESC1=CCC2C(=C1)OC=CCC1C=CC=CC12
InChIInChI=1S/C15H16O/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-6,8,10-14H,7,9H2
InChIKeyRKXAVIGSSRNLTN-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.74
Rot. Bonds

About 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene

8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene (PubChem CID 123166540) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene.

Molecular Properties

Compound Name8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene
PubChem CID123166540
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene
SMILESC1=CCC2C(=C1)OC=CCC1C=CC=CC12
InChIInChI=1S/C15H16O/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-6,8,10-14H,7,9H2
InChIKeyRKXAVIGSSRNLTN-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene with MolForge

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Related Compounds

Tetrahydro-4h-chromene
CID 18678319
5-Methoxy-1,2,3,4,4a,8a-hexahydronaphthalene
CID 20027000
1-(2-Ethylhexoxy)octa-1,3-diene
CID 53903950
8,8-Dimethyl-1,6,7,8a-tetrahydroisochromene
CID 57077631
3-Ethoxy-1,2,4a,8a-tetrahydronaphthalene
CID 57127371
6,7,8,8a-tetrahydro-1H-isochromene
CID 57183798
3-Methoxy-1,2,4a,8a-tetrahydronaphthalene
CID 57310354
1,6,6a,7,11a,11b-Hexahydrocyclohepta[c]chromene
CID 69204463
1-(2-Ethylhexoxy)-4-methylcyclohexa-1,3-diene
CID 70942683
4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene
CID 89060480
4,4a,5,6-tetrahydro-3H-isochromene
CID 91101484
7-Ethoxy-1,2,8,8a-tetrahydronaphthalene
CID 117758246

Frequently Asked Questions

What is the IUPAC name of 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene?
The IUPAC name of 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene (CID 123166540) is 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene.
What is the SMILES notation for 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene?
The canonical SMILES for 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene is C1=CCC2C(=C1)OC=CCC1C=CC=CC12.
What is the InChIKey of 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene?
The InChIKey is RKXAVIGSSRNLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-6,8,10-14H,7,9H2.
What are the key properties of 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene?
8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene has a molecular weight of 212.29 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene is sourced from PubChem (CID 123166540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).