2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen

C12H22O3 — CID 143150642

IUPAC2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen
SMILESOCCC1CCC2OC3CCCC2(C3)O1.[H][H]
InChIInChI=1S/C12H20O3.H2/c13-7-5-9-3-4-11-12(15-9)6-1-2-10(8-12)14-11;/h9-11,13H,1-8H2;1H
InChIKeyIOPOSGPQSMLLEY-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.87
Rot. Bonds2

About 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen

2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen (PubChem CID 143150642) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen.

Molecular Properties

Compound Name2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen
PubChem CID143150642
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen
SMILESOCCC1CCC2OC3CCCC2(C3)O1.[H][H]
InChIInChI=1S/C12H20O3.H2/c13-7-5-9-3-4-11-12(15-9)6-1-2-10(8-12)14-11;/h9-11,13H,1-8H2;1H
InChIKeyIOPOSGPQSMLLEY-UHFFFAOYSA-N
XLogP1.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol
CID 143786728
2-[(8R,9R,11R)-2,7,10-trioxatetracyclo[6.4.1.01,6.09,11]tridecan-3-yl]ethanol
CID 88566895
spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol
CID 131173016
methyl 2-[(1R,3R,6S,8R,9R,11R)-2,7,10-trioxatetracyclo[6.4.1.01,6.09,11]tridecan-3-yl]acetate;2-[(1R,3R,6S,8R,9R,11R)-2,7,10-trioxatetracyclo[6.4.1.01,6.09,11]tridecan-3-yl]ethanol
CID 157377235
3-[(1R,3S,8R,10R)-10-bromo-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]propanenitrile
CID 143786690
2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
CID 11275673
(1S,3S,6S,8S,10R)-9,10-dimethyl-3-propyl-2,7-dioxatricyclo[6.3.1.01,6]dodecane
CID 58077834
3-[(1R,3R,8R,10S,13S)-spiro[4,6,9,14-tetraoxatetracyclo[6.6.1.01,10.03,7]pentadecane-5,1'-cyclohexane]-13-yl]propanenitrile
CID 71164105
(1R,3R,7S,8R,10S,13R)-13-(2-isocyanoethyl)spiro[4,6,9,14-tetraoxatetracyclo[6.6.1.01,10.03,7]pentadecane-5,1'-cyclohexane]
CID 123799866
3-(2-hydroxyethyl)-2-oxaspiro[4.5]decan-1-ol
CID 167048650
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
2-[(1R,4S,11R)-3,8,12-trioxatetracyclo[7.3.2.01,11.04,9]tetradecan-7-yl]acetic acid
CID 135242593

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen?
The IUPAC name of 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen (CID 143150642) is 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen.
What is the SMILES notation for 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen?
The canonical SMILES for 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen is OCCC1CCC2OC3CCCC2(C3)O1.[H][H].
What is the InChIKey of 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen?
The InChIKey is IOPOSGPQSMLLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3.H2/c13-7-5-9-3-4-11-12(15-9)6-1-2-10(8-12)14-11;/h9-11,13H,1-8H2;1H.
What are the key properties of 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen?
2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen has a molecular weight of 214.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen is sourced from PubChem (CID 143150642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).