4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane

C12H16O2 — CID 22216489

IUPAC4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane
SMILESC1C2CC3OC4C5CCC(OC1C35)C24
InChIInChI=1S/C12H16O2/c1-2-7-10-5-3-8(13-7)11-6(1)12(10)14-9(11)4-5/h5-12H,1-4H2
InChIKeyGSDLUYJDRUQHDU-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.59
Rot. Bonds

About 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane

4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane (PubChem CID 22216489) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane.

Molecular Properties

Compound Name4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane
PubChem CID22216489
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane
SMILESC1C2CC3OC4C5CCC(OC1C35)C24
InChIInChI=1S/C12H16O2/c1-2-7-10-5-3-8(13-7)11-6(1)12(10)14-9(11)4-5/h5-12H,1-4H2
InChIKeyGSDLUYJDRUQHDU-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-oxatetracyclo[6.4.0.02,6.05,10]dodecane
CID 596297
(1S,2S,4S,6S,7S,9S)-3,8,11-trioxatetracyclo[4.4.1.02,4.07,9]undecane
CID 162902554
(3R,5R,6R,7S)-4-oxatetracyclo[4.2.1.02,5.03,7]nonane
CID 98544246
3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
CID 88535344
(2S,4R,8S)-8-methyl-3-oxatricyclo[5.1.0.02,4]octane
CID 163528323
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane
CID 59281682
3,7-bis(4-hydroxycyclohexyl)-2,8-dioxatricyclo[7.3.1.05,13]tridecan-11-ol
CID 163130630
11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane
CID 141144427
3-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 19973707
3,8-dioxatricyclo[3.2.1.02,4]octane
CID 15647432
2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradecane
CID 85176520

Frequently Asked Questions

What is the IUPAC name of 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane?
The IUPAC name of 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane (CID 22216489) is 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane.
What is the SMILES notation for 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane?
The canonical SMILES for 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane is C1C2CC3OC4C5CCC(OC1C35)C24.
What is the InChIKey of 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane?
The InChIKey is GSDLUYJDRUQHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-7-10-5-3-8(13-7)11-6(1)12(10)14-9(11)4-5/h5-12H,1-4H2.
What are the key properties of 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane?
4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane has a molecular weight of 192.26 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,14-dioxapentacyclo[7.4.1.02,7.03,11.05,10]tetradecane is sourced from PubChem (CID 22216489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).