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

C9H14O2 — CID 54537554

IUPAC(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
SMILESOC1OC[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C9H14O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-10H,1-4H2/t5-,6+,7+,8-,9?/m0/s1
InChIKeyZAWDYOYSASFTAX-WAOFTFCCSA-N
MW154.21 g/mol
LogP1.00
Rot. Bonds

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

(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol (PubChem CID 54537554) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol.

Molecular Properties

Compound Name(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
PubChem CID54537554
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
SMILESOC1OC[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C9H14O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-10H,1-4H2/t5-,6+,7+,8-,9?/m0/s1
InChIKeyZAWDYOYSASFTAX-WAOFTFCCSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
CID 14527126
(+)-14,15-Epoxy-thapsan-14-ol
CID 11379426
(1R,3aS,4aS,8aS,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
CID 135020352
[3-(Diethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 12800688
1,3-Dimethoxyoctahydro-4,7-methano-2-benzofuran
CID 13031344
4,7-Methanoisobenzofuran-1-ol, octahydro-
CID 13504705
(1S,2R,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 13504706
2-[[3-(1,3-Dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol
CID 14254587
4a,8,8,8a-Tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
CID 14527125
3-Methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 15594969
(1R,2S,6R,7S)-3-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 18606840
2-[2-[[3-(1,3-Dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethoxy]ethanol
CID 57276736

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The IUPAC name of (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol (CID 54537554) is (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol.
What is the SMILES notation for (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The canonical SMILES for (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol is OC1OC[C@@H]2[C@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
The InChIKey is ZAWDYOYSASFTAX-WAOFTFCCSA-N. The full InChI is InChI=1S/C9H14O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-10H,1-4H2/t5-,6+,7+,8-,9?/m0/s1.
What are the key properties of (1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol?
(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-ol has a molecular weight of 154.21 g/mol, XLogP of 1.00, 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)-4-oxatricyclo[5.2.1.02,6]decan-3-ol is sourced from PubChem (CID 54537554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).