tricyclo[4.2.1.03,7]nonan-3-ol

C9H14O — CID 4163021

IUPACtricyclo[4.2.1.03,7]nonan-3-ol
SMILESOC12CCC3CC(CC31)C2
InChIInChI=1S/C9H14O/c10-9-2-1-7-3-6(5-9)4-8(7)9/h6-8,10H,1-5H2
InChIKeyVCEPCSVFFOPLEK-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.56
Rot. Bonds

About tricyclo[4.2.1.03,7]nonan-3-ol

tricyclo[4.2.1.03,7]nonan-3-ol (PubChem CID 4163021) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is tricyclo[4.2.1.03,7]nonan-3-ol.

Molecular Properties

Compound Nametricyclo[4.2.1.03,7]nonan-3-ol
PubChem CID4163021
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Nametricyclo[4.2.1.03,7]nonan-3-ol
SMILESOC12CCC3CC(CC31)C2
InChIInChI=1S/C9H14O/c10-9-2-1-7-3-6(5-9)4-8(7)9/h6-8,10H,1-5H2
InChIKeyVCEPCSVFFOPLEK-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.2.1.03,7]nonan-3-ol?
The IUPAC name of tricyclo[4.2.1.03,7]nonan-3-ol (CID 4163021) is tricyclo[4.2.1.03,7]nonan-3-ol.
What is the SMILES notation for tricyclo[4.2.1.03,7]nonan-3-ol?
The canonical SMILES for tricyclo[4.2.1.03,7]nonan-3-ol is OC12CCC3CC(CC31)C2.
What is the InChIKey of tricyclo[4.2.1.03,7]nonan-3-ol?
The InChIKey is VCEPCSVFFOPLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c10-9-2-1-7-3-6(5-9)4-8(7)9/h6-8,10H,1-5H2.
What are the key properties of tricyclo[4.2.1.03,7]nonan-3-ol?
tricyclo[4.2.1.03,7]nonan-3-ol has a molecular weight of 138.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.2.1.03,7]nonan-3-ol is sourced from PubChem (CID 4163021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).