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

C10H16O2 — CID 58143073

IUPAC(1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
SMILESC[C@@]12C(O)OCC1C1CC[C@@H]2C1
InChIInChI=1S/C10H16O2/c1-10-7-3-2-6(4-7)8(10)5-12-9(10)11/h6-9,11H,2-5H2,1H3/t6?,7-,8?,9?,10+/m1/s1
InChIKeyYIFGCNFKMHBPQJ-LWWMSWIRSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds

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

(1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol (PubChem CID 58143073) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol.

Molecular Properties

Compound Name(1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
PubChem CID58143073
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
SMILESC[C@@]12C(O)OCC1C1CC[C@@H]2C1
InChIInChI=1S/C10H16O2/c1-10-7-3-2-6(4-7)8(10)5-12-9(10)11/h6-9,11H,2-5H2,1H3/t6?,7-,8?,9?,10+/m1/s1
InChIKeyYIFGCNFKMHBPQJ-LWWMSWIRSA-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)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The IUPAC name of (1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol (CID 58143073) is (1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol.
What is the SMILES notation for (1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The canonical SMILES for (1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol is C[C@@]12C(O)OCC1C1CC[C@@H]2C1.
What is the InChIKey of (1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The InChIKey is YIFGCNFKMHBPQJ-LWWMSWIRSA-N. The full InChI is InChI=1S/C10H16O2/c1-10-7-3-2-6(4-7)8(10)5-12-9(10)11/h6-9,11H,2-5H2,1H3/t6?,7-,8?,9?,10+/m1/s1.
What are the key properties of (1R,2S)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
(1R,2S)-2-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)-2-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol is sourced from PubChem (CID 58143073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).