2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane

C20H22O — CID 167480833

IUPAC2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane
SMILESc1ccc2c(c1)CCc1ccccc1C2C1CCCCO1
InChIInChI=1S/C20H22O/c1-3-9-17-15(7-1)12-13-16-8-2-4-10-18(16)20(17)19-11-5-6-14-21-19/h1-4,7-10,19-20H,5-6,11-14H2
InChIKeyPIXPXQQUVGGAFN-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.49
Rot. Bonds1

About 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane

2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane (PubChem CID 167480833) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane.

Molecular Properties

Compound Name2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane
PubChem CID167480833
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane
SMILESc1ccc2c(c1)CCc1ccccc1C2C1CCCCO1
InChIInChI=1S/C20H22O/c1-3-9-17-15(7-1)12-13-16-8-2-4-10-18(16)20(17)19-11-5-6-14-21-19/h1-4,7-10,19-20H,5-6,11-14H2
InChIKeyPIXPXQQUVGGAFN-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane with MolForge

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Related Compounds

(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]oxolane
CID 11550131
2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)oxane
CID 11085661
methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene
CID 159773776
2-(oxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79422393
4-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-3-ol
CID 167480908
11-iodo-1,2,3,4,4a,6,11,11a-octahydrobenzo[c][1]benzoxepine
CID 138482138
4-bromo-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxan-4-yl]benzenesulfinamide
CID 167480828
N-methyl-1-(oxolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65328404
cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105100583
2-[(2R)-oxan-2-yl]phenol
CID 92978074
2-[4-(2-fluoro-3-methylphenyl)cyclohexyl]oxane
CID 134447528
(2S)-2-[(1S)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]pyrrolidine
CID 122456694

Frequently Asked Questions

What is the IUPAC name of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane?
The IUPAC name of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane (CID 167480833) is 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane.
What is the SMILES notation for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane?
The canonical SMILES for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane is c1ccc2c(c1)CCc1ccccc1C2C1CCCCO1.
What is the InChIKey of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane?
The InChIKey is PIXPXQQUVGGAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-3-9-17-15(7-1)12-13-16-8-2-4-10-18(16)20(17)19-11-5-6-14-21-19/h1-4,7-10,19-20H,5-6,11-14H2.
What are the key properties of 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane?
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane has a molecular weight of 278.39 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane is sourced from PubChem (CID 167480833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).