4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol

C9H12O2 — CID 12584953

IUPAC4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol
SMILESOCC12OC3C4CC(CC41)C32
InChIInChI=1S/C9H12O2/c10-3-9-6-2-4-1-5(6)8(11-9)7(4)9/h4-8,10H,1-3H2
InChIKeyBPDKTSOEXGRDCI-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.40
Rot. Bonds1

About 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol

4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol (PubChem CID 12584953) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol.

Molecular Properties

Compound Name4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol
PubChem CID12584953
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol
SMILESOCC12OC3C4CC(CC41)C32
InChIInChI=1S/C9H12O2/c10-3-9-6-2-4-1-5(6)8(11-9)7(4)9/h4-8,10H,1-3H2
InChIKeyBPDKTSOEXGRDCI-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol?
The IUPAC name of 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol (CID 12584953) is 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol.
What is the SMILES notation for 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol?
The canonical SMILES for 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol is OCC12OC3C4CC(CC41)C32.
What is the InChIKey of 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol?
The InChIKey is BPDKTSOEXGRDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-3-9-6-2-4-1-5(6)8(11-9)7(4)9/h4-8,10H,1-3H2.
What are the key properties of 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol?
4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol has a molecular weight of 152.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatetracyclo[4.2.1.02,5.03,7]nonan-3-ylmethanol is sourced from PubChem (CID 12584953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).