(1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol

C9H14O2 — CID 97304011

IUPAC(1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol
SMILESOC1[C@H]2CC[C@@H]1[C@H]1COC[C@@H]12
InChIInChI=1S/C9H14O2/c10-9-5-1-2-6(9)8-4-11-3-7(5)8/h5-10H,1-4H2/t5-,6+,7-,8-,9?/m1/s1
InChIKeySMTRQOLYIYPGQN-NEIVSKJXSA-N
MW154.21 g/mol
LogP0.65
Rot. Bonds

About (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol

(1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol (PubChem CID 97304011) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol.

Molecular Properties

Compound Name(1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol
PubChem CID97304011
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol
SMILESOC1[C@H]2CC[C@@H]1[C@H]1COC[C@@H]12
InChIInChI=1S/C9H14O2/c10-9-5-1-2-6(9)8-4-11-3-7(5)8/h5-10H,1-4H2/t5-,6+,7-,8-,9?/m1/s1
InChIKeySMTRQOLYIYPGQN-NEIVSKJXSA-N
XLogP0.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol?
The IUPAC name of (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol (CID 97304011) is (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol.
What is the SMILES notation for (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol?
The canonical SMILES for (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol is OC1[C@H]2CC[C@@H]1[C@H]1COC[C@@H]12.
What is the InChIKey of (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol?
The InChIKey is SMTRQOLYIYPGQN-NEIVSKJXSA-N. The full InChI is InChI=1S/C9H14O2/c10-9-5-1-2-6(9)8-4-11-3-7(5)8/h5-10H,1-4H2/t5-,6+,7-,8-,9?/m1/s1.
What are the key properties of (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol?
(1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol has a molecular weight of 154.21 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol is sourced from PubChem (CID 97304011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).