(1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol

C10H16O2 — CID 10583231

IUPAC(1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol
SMILESO[C@]12CCC[C@@]3(CCCC3C1)O2
InChIInChI=1S/C10H16O2/c11-10-6-2-5-9(12-10)4-1-3-8(9)7-10/h8,11H,1-7H2/t8?,9-,10+/m1/s1
InChIKeyZLPLOIMIXOMVKP-XVBQNVSMSA-N
MW168.24 g/mol
LogP1.82
Rot. Bonds

About (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol

(1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol (PubChem CID 10583231) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol.

Molecular Properties

Compound Name(1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol
PubChem CID10583231
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol
SMILESO[C@]12CCC[C@@]3(CCCC3C1)O2
InChIInChI=1S/C10H16O2/c11-10-6-2-5-9(12-10)4-1-3-8(9)7-10/h8,11H,1-7H2/t8?,9-,10+/m1/s1
InChIKeyZLPLOIMIXOMVKP-XVBQNVSMSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3R,6R,7R)-3,7-dimethyl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol
CID 139255195
6-Ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 58945442
2,6-Dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol
CID 11507123
2,6-Dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 11615628
(1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 11770523
(1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol
CID 11953557
(1R,5S,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol
CID 15828393
(1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 100982263
(1R,5S,8R)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 102123484
(1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol
CID 102256325

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol?
The IUPAC name of (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol (CID 10583231) is (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol.
What is the SMILES notation for (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol?
The canonical SMILES for (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol is O[C@]12CCC[C@@]3(CCCC3C1)O2.
What is the InChIKey of (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol?
The InChIKey is ZLPLOIMIXOMVKP-XVBQNVSMSA-N. The full InChI is InChI=1S/C10H16O2/c11-10-6-2-5-9(12-10)4-1-3-8(9)7-10/h8,11H,1-7H2/t8?,9-,10+/m1/s1.
What are the key properties of (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol?
(1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol has a molecular weight of 168.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-11-oxatricyclo[5.3.1.01,5]undecan-7-ol is sourced from PubChem (CID 10583231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).