2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane

C11H14O3 — CID 85176520

IUPAC2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane
SMILESC1CC2OC3OC4OC1C1C4CC3C21
InChIInChI=1S/C11H14O3/c1-2-7-9-5-3-4-8(9)6(1)12-10(4)14-11(5)13-7/h4-11H,1-3H2
InChIKeyQOOXEPKNZOCEAM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.13
Rot. Bonds

About 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane

2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane (PubChem CID 85176520) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane.

Molecular Properties

Compound Name2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane
PubChem CID85176520
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane
SMILESC1CC2OC3OC4OC1C1C4CC3C21
InChIInChI=1S/C11H14O3/c1-2-7-9-5-3-4-8(9)6(1)12-10(4)14-11(5)13-7/h4-11H,1-3H2
InChIKeyQOOXEPKNZOCEAM-UHFFFAOYSA-N
XLogP1.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,3S,4S,6R,7S,9R,11R)-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
CID 15972728
(1S,3R,4S,5R,7R,9S,11S,12S)-5,11-dimethyl-6,8,10-trioxatetracyclo[7.3.0.03,7.04,12]dodecane
CID 10845554
(6R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-ol
CID 67794006
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
(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
(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
3,8-dioxatricyclo[3.2.1.02,4]octane
CID 15647432
(4S,6R)-5-oxaheptacyclo[7.6.1.13,7.111,14.02,8.04,6.010,15]octadecane
CID 59904064
4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane
CID 22216489
(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 53393744
(1S,2S,3S,5S,7R,8R,9S,11R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 99721647
(1S,3R,4R,6S,7S,9R,10R,11R)-2,8,12-trioxatetracyclo[7.2.1.04,11.06,10]dodecane-3,7-dicarbonitrile
CID 10608842

Frequently Asked Questions

What is the IUPAC name of 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane?
The IUPAC name of 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane (CID 85176520) is 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane.
What is the SMILES notation for 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane?
The canonical SMILES for 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane is C1CC2OC3OC4OC1C1C4CC3C21.
What is the InChIKey of 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane?
The InChIKey is QOOXEPKNZOCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-7-9-5-3-4-8(9)6(1)12-10(4)14-11(5)13-7/h4-11H,1-3H2.
What are the key properties of 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane?
2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane has a molecular weight of 194.23 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane is sourced from PubChem (CID 85176520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).