2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol

C15H30O4 — CID 143786728

IUPAC2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol
SMILESCC.CO.OCC[C@H]1CCC2OC3CCCC2(C3)O1
InChIInChI=1S/C12H20O3.C2H6.CH4O/c13-7-5-9-3-4-11-12(15-9)6-1-2-10(8-12)14-11;2*1-2/h9-11,13H,1-8H2;1-2H3;2H,1H3/t9-,10?,11?,12?;;/m1../s1
InChIKeyIDDZKQTXHFAXFT-JXQXPWMWSA-N
MW274.40 g/mol
LogP2.26
Rot. Bonds2

About 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol

2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol (PubChem CID 143786728) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol.

Molecular Properties

Compound Name2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol
PubChem CID143786728
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol
SMILESCC.CO.OCC[C@H]1CCC2OC3CCCC2(C3)O1
InChIInChI=1S/C12H20O3.C2H6.CH4O/c13-7-5-9-3-4-11-12(15-9)6-1-2-10(8-12)14-11;2*1-2/h9-11,13H,1-8H2;1-2H3;2H,1H3/t9-,10?,11?,12?;;/m1../s1
InChIKeyIDDZKQTXHFAXFT-JXQXPWMWSA-N
XLogP2.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol with MolForge

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Related Compounds

2-(2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl)ethanol;molecular hydrogen
CID 143150642
2-[(8R,9R,11R)-2,7,10-trioxatetracyclo[6.4.1.01,6.09,11]tridecan-3-yl]ethanol
CID 88566895
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
spiro[8-oxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-ylmethanol
CID 131173016
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
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol
CID 130978706
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
2-(5,6-dimethyloxan-2-yl)ethanol
CID 59772049
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol?
The IUPAC name of 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol (CID 143786728) is 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol.
What is the SMILES notation for 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol?
The canonical SMILES for 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol is CC.CO.OCC[C@H]1CCC2OC3CCCC2(C3)O1.
What is the InChIKey of 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol?
The InChIKey is IDDZKQTXHFAXFT-JXQXPWMWSA-N. The full InChI is InChI=1S/C12H20O3.C2H6.CH4O/c13-7-5-9-3-4-11-12(15-9)6-1-2-10(8-12)14-11;2*1-2/h9-11,13H,1-8H2;1-2H3;2H,1H3/t9-,10?,11?,12?;;/m1../s1.
What are the key properties of 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol?
2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol has a molecular weight of 274.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,7-dioxatricyclo[6.3.1.01,6]dodecan-3-yl]ethanol;ethane;methanol is sourced from PubChem (CID 143786728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).