(1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol

C8H10O2 — CID 10654283

IUPAC(1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
SMILESO[C@H]1[C@H]2C[C@@H]3[C@H]4O[C@H]([C@@H]24)[C@H]13
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-MOOOWGBESA-N
MW138.17 g/mol
LogP0.01
Rot. Bonds

About (1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol

(1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol (PubChem CID 10654283) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol.

Molecular Properties

Compound Name(1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
PubChem CID10654283
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
SMILESO[C@H]1[C@H]2C[C@@H]3[C@H]4O[C@H]([C@@H]24)[C@H]13
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-MOOOWGBESA-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

Analyze (1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol with MolForge

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Related Compounds

(1R,3S,6R,7R,8S)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol
CID 10103254
(1R,3S,6R,7R,8R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol
CID 10396923
(1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol
CID 10844458
(1S,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol
CID 11105430
4-Oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol
CID 12584953
(1R,4S,7R,8S,9R,11S)-3-oxatetracyclo[5.4.0.02,9.04,8]undecan-11-ol
CID 21680673
Tricyclo[3.3.0.03,7]octane-2,6-diol
CID 85287592
(1S,7R,8S,9R)-3-oxatetracyclo[5.4.0.02,9.04,8]undecan-11-ol
CID 133617422
(1R,2S,3R,4R,6S,7S,8R,9R,10S,12S)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-11-ol
CID 133678186
(1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol
CID 177494876

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol?
The IUPAC name of (1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol (CID 10654283) is (1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol.
What is the SMILES notation for (1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol?
The canonical SMILES for (1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol is O[C@H]1[C@H]2C[C@@H]3[C@H]4O[C@H]([C@@H]24)[C@H]13.
What is the InChIKey of (1S,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol?
The InChIKey is BUHHGBHGYIDHKB-MOOOWGBESA-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,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol?
(1S,2S,3S,5R,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,2S,3S,5R,6S,7S,8S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonan-8-ol is sourced from PubChem (CID 10654283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).