(3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane

C10H10O2 — CID 99954925

IUPAC(3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane
SMILESO1[C@@H]2[C@@H]1[C@H]1C3C4[C@H]([C@H]5O[C@H]5[C@H]41)[C@H]32
InChIInChI=1S/C10H10O2/c11-7-3-1-2-5(3)9-10(12-9)6(2)4(1)8(7)11/h1-10H/t1?,2?,3-,4-,5-,6+,7-,8-,9+,10-/m0/s1
InChIKeyOQUDOZYKHIOZJM-GUUJLISDSA-N
MW162.19 g/mol
LogP0.27
Rot. Bonds

About (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane

(3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane (PubChem CID 99954925) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane.

Molecular Properties

Compound Name(3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane
PubChem CID99954925
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane
SMILESO1[C@@H]2[C@@H]1[C@H]1C3C4[C@H]([C@H]5O[C@H]5[C@H]41)[C@H]32
InChIInChI=1S/C10H10O2/c11-7-3-1-2-5(3)9-10(12-9)6(2)4(1)8(7)11/h1-10H/t1?,2?,3-,4-,5-,6+,7-,8-,9+,10-/m0/s1
InChIKeyOQUDOZYKHIOZJM-GUUJLISDSA-N
XLogP0.27
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane with MolForge

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Related Compounds

5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane
CID 13056304
(1R,2R,3R,4R,6R,7S,8R,9S,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
CID 6976892
(1R,2R,3S,4R,6S,7R,8S,9R,10R,12R)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
CID 124763737
2-[(2S,3R,4R,6S,7S,9S,10R,11R,12R,14R,15S,17R)-9-(cyanomethyl)-13-oxaheptacyclo[8.6.1.02,6.03,15.07,17.011,16.012,14]heptadecan-4-yl]acetonitrile
CID 98557858
5,12-dioxaheptacyclo[7.6.1.02,8.03,7.04,6.010,15.011,13]hexadecane
CID 123198267
(6S,13S)-5-methyl-4,12-dioxahexacyclo[7.5.0.02,7.03,6.010,14.011,13]tetradecane
CID 126605387
octacyclo[6.6.0.02,7.03,6.04,12.05,11.09,14.010,13]tetradecane
CID 71363415
(2S,6S,8S)-pentacyclo[3.3.0.02,4.03,7.06,8]octane
CID 137323682
4,7-dioxatetracyclo[4.3.0.02,9.03,5]nonan-8-one
CID 5257478
(2S,3R)-2,3-dicyclohexyloxirane
CID 169013366
(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol
CID 140835106
3-oxatricyclo[3.3.1.02,4]nonane
CID 87443945

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane?
The IUPAC name of (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane (CID 99954925) is (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane.
What is the SMILES notation for (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane?
The canonical SMILES for (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane is O1[C@@H]2[C@@H]1[C@H]1C3C4[C@H]([C@H]5O[C@H]5[C@H]41)[C@H]32.
What is the InChIKey of (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane?
The InChIKey is OQUDOZYKHIOZJM-GUUJLISDSA-N. The full InChI is InChI=1S/C10H10O2/c11-7-3-1-2-5(3)9-10(12-9)6(2)4(1)8(7)11/h1-10H/t1?,2?,3-,4-,5-,6+,7-,8-,9+,10-/m0/s1.
What are the key properties of (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane?
(3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane has a molecular weight of 162.19 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R,7S,8S,9S,11S,12S)-5,10-dioxahexacyclo[6.4.0.02,7.03,12.04,6.09,11]dodecane is sourced from PubChem (CID 99954925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).