4-oxatricyclo[4.3.0.03,8]nonan-5-ol

C8H12O2 — CID 147187673

IUPAC4-oxatricyclo[4.3.0.03,8]nonan-5-ol
SMILESOC1OC2CC3CC2CC31
InChIInChI=1S/C8H12O2/c9-8-6-2-5-1-4(6)3-7(5)10-8/h4-9H,1-3H2
InChIKeyCAURTODMWZCPBP-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.75
Rot. Bonds

About 4-oxatricyclo[4.3.0.03,8]nonan-5-ol

4-oxatricyclo[4.3.0.03,8]nonan-5-ol (PubChem CID 147187673) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-oxatricyclo[4.3.0.03,8]nonan-5-ol.

Molecular Properties

Compound Name4-oxatricyclo[4.3.0.03,8]nonan-5-ol
PubChem CID147187673
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-oxatricyclo[4.3.0.03,8]nonan-5-ol
SMILESOC1OC2CC3CC2CC31
InChIInChI=1S/C8H12O2/c9-8-6-2-5-1-4(6)3-7(5)10-8/h4-9H,1-3H2
InChIKeyCAURTODMWZCPBP-UHFFFAOYSA-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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Related Compounds

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(1S,2S,3S,5S,6S,7R)-2-bromo-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
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2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran
CID 71108604
methyl 5-hydroxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
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2-oxabicyclo[1.1.1]pentan-4-ol
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2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane
CID 90112010
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CID 101444272

Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[4.3.0.03,8]nonan-5-ol?
The IUPAC name of 4-oxatricyclo[4.3.0.03,8]nonan-5-ol (CID 147187673) is 4-oxatricyclo[4.3.0.03,8]nonan-5-ol.
What is the SMILES notation for 4-oxatricyclo[4.3.0.03,8]nonan-5-ol?
The canonical SMILES for 4-oxatricyclo[4.3.0.03,8]nonan-5-ol is OC1OC2CC3CC2CC31.
What is the InChIKey of 4-oxatricyclo[4.3.0.03,8]nonan-5-ol?
The InChIKey is CAURTODMWZCPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-8-6-2-5-1-4(6)3-7(5)10-8/h4-9H,1-3H2.
What are the key properties of 4-oxatricyclo[4.3.0.03,8]nonan-5-ol?
4-oxatricyclo[4.3.0.03,8]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 4-oxatricyclo[4.3.0.03,8]nonan-5-ol is sourced from PubChem (CID 147187673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).