(1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol

C10H16O2 — CID 18606840

IUPAC(1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
SMILESCC1(O)OC[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21
InChIInChI=1S/C10H16O2/c1-10(11)9-7-3-2-6(4-7)8(9)5-12-10/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9-,10?/m0/s1
InChIKeyGEMDOWLSPVAUMY-YHTCJBSDSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds

About (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol

(1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol (PubChem CID 18606840) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol.

Molecular Properties

Compound Name(1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
PubChem CID18606840
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
SMILESCC1(O)OC[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21
InChIInChI=1S/C10H16O2/c1-10(11)9-7-3-2-6(4-7)8(9)5-12-10/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9-,10?/m0/s1
InChIKeyGEMDOWLSPVAUMY-YHTCJBSDSA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The IUPAC name of (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol (CID 18606840) is (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol.
What is the SMILES notation for (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The canonical SMILES for (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol is CC1(O)OC[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21.
What is the InChIKey of (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The InChIKey is GEMDOWLSPVAUMY-YHTCJBSDSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(11)9-7-3-2-6(4-7)8(9)5-12-10/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9-,10?/m0/s1.
What are the key properties of (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
(1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol has a molecular weight of 168.24 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol is sourced from PubChem (CID 18606840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).