(1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol

C8H10O2 — CID 11105430

IUPAC(1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
SMILESO[C@@H]1[C@H]2C3OC4C3[C@@H]1C[C@H]42
InChIInChI=1S/C8H10O2/c9-6-2-1-3-4(6)8-5(2)7(3)10-8/h2-9H,1H2/t2-,3-,4-,5?,6-,7?,8?/m0/s1
InChIKeyBUHHGBHGYIDHKB-IDCJKLDYSA-N
MW138.17 g/mol
LogP0.01
Rot. Bonds

About (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol

(1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol (PubChem CID 11105430) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol.

Molecular Properties

Compound Name(1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
PubChem CID11105430
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
SMILESO[C@@H]1[C@H]2C3OC4C3[C@@H]1C[C@H]42
InChIInChI=1S/C8H10O2/c9-6-2-1-3-4(6)8-5(2)7(3)10-8/h2-9H,1H2/t2-,3-,4-,5?,6-,7?,8?/m0/s1
InChIKeyBUHHGBHGYIDHKB-IDCJKLDYSA-N
XLogP0.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol?
The IUPAC name of (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol (CID 11105430) is (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol.
What is the SMILES notation for (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol?
The canonical SMILES for (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol is O[C@@H]1[C@H]2C3OC4C3[C@@H]1C[C@H]42.
What is the InChIKey of (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol?
The InChIKey is BUHHGBHGYIDHKB-IDCJKLDYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-2-1-3-4(6)8-5(2)7(3)10-8/h2-9H,1H2/t2-,3-,4-,5?,6-,7?,8?/m0/s1.
What are the key properties of (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol?
(1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol has a molecular weight of 138.17 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol is sourced from PubChem (CID 11105430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).