(1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene

C10H8O2 — CID 98543355

IUPAC(1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)[C@H]1O[C@H]2[C@H]2O[C@@H]21
InChIInChI=1S/C10H8O2/c1-2-4-6-5(3-1)7-9-10(12-9)8(6)11-7/h1-4,7-10H/t7-,8-,9-,10-/m1/s1
InChIKeyGHPWZPHGHQJKDD-ZYUZMQFOSA-N
MW160.17 g/mol
LogP1.58
Rot. Bonds

About (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene

(1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene (PubChem CID 98543355) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
PubChem CID98543355
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name(1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
SMILESc1ccc2c(c1)[C@H]1O[C@H]2[C@H]2O[C@@H]21
InChIInChI=1S/C10H8O2/c1-2-4-6-5(3-1)7-9-10(12-9)8(6)11-7/h1-4,7-10H/t7-,8-,9-,10-/m1/s1
InChIKeyGHPWZPHGHQJKDD-ZYUZMQFOSA-N
XLogP1.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene with MolForge

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Related Compounds

8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 11231966
(2S,3S,10S,11S)-25-oxaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4,6,8,13,15,17,19,21,23-nonaene
CID 98140953
(1R,8S,9S,11R)-10-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 13467286
(1R,8S,9R,11S)-10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2,4,6-triene
CID 102239877
(9R,11S)-10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2,4,6-triene
CID 22216431
(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 59070564
(1R,8R,9S,11R)-10,10-dichloro-12-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 124923761
15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene
CID 85344604
21,22-dioxaheptacyclo[12.6.1.14,11.02,13.03,12.05,10.015,20]docosa-5,7,9,15,17,19-hexaene;11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 159133758
[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 57164696
(1aR,6S,6aS)-6-azido-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 10442175

Frequently Asked Questions

What is the IUPAC name of (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene?
The IUPAC name of (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene (CID 98543355) is (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene.
What is the SMILES notation for (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene?
The canonical SMILES for (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene is c1ccc2c(c1)[C@H]1O[C@H]2[C@H]2O[C@@H]21.
What is the InChIKey of (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene?
The InChIKey is GHPWZPHGHQJKDD-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H8O2/c1-2-4-6-5(3-1)7-9-10(12-9)8(6)11-7/h1-4,7-10H/t7-,8-,9-,10-/m1/s1.
What are the key properties of (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene?
(1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene has a molecular weight of 160.17 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene is sourced from PubChem (CID 98543355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).