(1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol

C8H10O3 — CID 13388579

IUPAC(1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESO[C@@H]1OC[C@@H]2[C@H]1[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C8H10O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h1-2,4-9H,3H2/t4-,5-,6+,7-,8+/m0/s1
InChIKeyZQGGYTWIYSHIPC-YOWKYNACSA-N
MW154.16 g/mol
LogP-0.10
Rot. Bonds

About (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol

(1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol (PubChem CID 13388579) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol.

Molecular Properties

Compound Name(1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol
PubChem CID13388579
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESO[C@@H]1OC[C@@H]2[C@H]1[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C8H10O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h1-2,4-9H,3H2/t4-,5-,6+,7-,8+/m0/s1
InChIKeyZQGGYTWIYSHIPC-YOWKYNACSA-N
XLogP-0.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol with MolForge

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Related Compounds

(1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol
CID 146049529
(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 11147824
4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 550026
(6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol
CID 67794006
(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 169044740
(1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene
CID 10329483
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
1-[(1S,3aR,4S,7R,7aS)-2-methyl-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindol-1-yl]ethanone
CID 174169304
(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 145221120

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The IUPAC name of (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol (CID 13388579) is (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol.
What is the SMILES notation for (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The canonical SMILES for (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol is O[C@@H]1OC[C@@H]2[C@H]1[C@H]1C=C[C@@H]2O1.
What is the InChIKey of (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The InChIKey is ZQGGYTWIYSHIPC-YOWKYNACSA-N. The full InChI is InChI=1S/C8H10O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h1-2,4-9H,3H2/t4-,5-,6+,7-,8+/m0/s1.
What are the key properties of (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
(1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol has a molecular weight of 154.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol is sourced from PubChem (CID 13388579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).