(5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

C8H12O2 — CID 70416038

IUPAC(5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESO[C@H]1OC2CC3CC2C1C3
InChIInChI=1S/C8H12O2/c9-8-6-2-4-1-5(6)7(3-4)10-8/h4-9H,1-3H2/t4?,5?,6?,7?,8-/m0/s1
InChIKeyNUWVRSQLOXLCEM-WNBHMGEASA-N
MW140.18 g/mol
LogP0.75
Rot. Bonds

About (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

(5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (PubChem CID 70416038) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.

Molecular Properties

Compound Name(5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
PubChem CID70416038
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESO[C@H]1OC2CC3CC2C1C3
InChIInChI=1S/C8H12O2/c9-8-6-2-4-1-5(6)7(3-4)10-8/h4-9H,1-3H2/t4?,5?,6?,7?,8-/m0/s1
InChIKeyNUWVRSQLOXLCEM-WNBHMGEASA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The IUPAC name of (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (CID 70416038) is (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.
What is the SMILES notation for (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The canonical SMILES for (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is O[C@H]1OC2CC3CC2C1C3.
What is the InChIKey of (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The InChIKey is NUWVRSQLOXLCEM-WNBHMGEASA-N. The full InChI is InChI=1S/C8H12O2/c9-8-6-2-4-1-5(6)7(3-4)10-8/h4-9H,1-3H2/t4?,5?,6?,7?,8-/m0/s1.
What are the key properties of (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
(5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol has a molecular weight of 140.18 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is sourced from PubChem (CID 70416038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).