(6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol

C8H12O3 — CID 67794006

IUPAC(6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol
SMILESOC1OC[C@@H]2C3CCC(O3)C12
InChIInChI=1S/C8H12O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h4-9H,1-3H2/t4-,5?,6?,7?,8?/m1/s1
InChIKeyJYTQKTKMMXLVJR-BKJPEWSUSA-N
MW156.18 g/mol
LogP0.13
Rot. Bonds

About (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol

(6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol (PubChem CID 67794006) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol.

Molecular Properties

Compound Name(6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol
PubChem CID67794006
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol
SMILESOC1OC[C@@H]2C3CCC(O3)C12
InChIInChI=1S/C8H12O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h4-9H,1-3H2/t4-,5?,6?,7?,8?/m1/s1
InChIKeyJYTQKTKMMXLVJR-BKJPEWSUSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol?
The IUPAC name of (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol (CID 67794006) is (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol.
What is the SMILES notation for (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol?
The canonical SMILES for (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol is OC1OC[C@@H]2C3CCC(O3)C12.
What is the InChIKey of (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol?
The InChIKey is JYTQKTKMMXLVJR-BKJPEWSUSA-N. The full InChI is InChI=1S/C8H12O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h4-9H,1-3H2/t4-,5?,6?,7?,8?/m1/s1.
What are the key properties of (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol?
(6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol has a molecular weight of 156.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol is sourced from PubChem (CID 67794006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).