(3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol

C9H10O2 — CID 22840738

IUPAC(3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol
SMILESO[C@H]1OC[C@H]2C1=C1C=C[C@H]2C1
InChIInChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5,7,9-10H,3-4H2/t5-,7+,9-/m0/s1
InChIKeyZYCYSZHSHMQQEF-KWPFTWCOSA-N
MW150.18 g/mol
LogP0.84
Rot. Bonds

About (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol

(3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol (PubChem CID 22840738) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol.

Molecular Properties

Compound Name(3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol
PubChem CID22840738
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol
SMILESO[C@H]1OC[C@H]2C1=C1C=C[C@H]2C1
InChIInChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5,7,9-10H,3-4H2/t5-,7+,9-/m0/s1
InChIKeyZYCYSZHSHMQQEF-KWPFTWCOSA-N
XLogP0.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3a,4-Tetrahydro-2-benzofuran-1-ol
CID 19819250
4-Oxatricyclo[5.2.1.02,6]dec-1-en-3-ol
CID 20227958
4-Oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol
CID 21284031
4-Oxatricyclo[5.2.1.02,6]deca-1(9),2(6)-dien-3-ol
CID 23046822
1,3,3a,4,5,6-Hexahydro-2-benzofuran-1,3-diol
CID 139468038
4-Oxatricyclo[5.2.1.02,6]deca-6,8-dien-3-ol
CID 153821101
6-Propan-2-ylidene-2,3,3a,6a-tetrahydrocyclopenta[b]furan-2-ol
CID 130149622

Frequently Asked Questions

What is the IUPAC name of (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol?
The IUPAC name of (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol (CID 22840738) is (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol.
What is the SMILES notation for (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol?
The canonical SMILES for (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol is O[C@H]1OC[C@H]2C1=C1C=C[C@H]2C1.
What is the InChIKey of (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol?
The InChIKey is ZYCYSZHSHMQQEF-KWPFTWCOSA-N. The full InChI is InChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5,7,9-10H,3-4H2/t5-,7+,9-/m0/s1.
What are the key properties of (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol?
(3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol has a molecular weight of 150.18 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,7R)-4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol is sourced from PubChem (CID 22840738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).