4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene

C22H12O — CID 118564981

IUPAC4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
SMILESc1cc2c3c(cccc3c1)-c1c-2ccc2c1oc1ccccc12
InChIInChI=1S/C22H12O/c1-2-10-19-14(7-1)17-12-11-16-15-8-3-5-13-6-4-9-18(20(13)15)21(16)22(17)23-19/h1-12H
InChIKeyXRFBCZJEIKHRQQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP6.39
Rot. Bonds

About 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene

4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene (PubChem CID 118564981) has the molecular formula C22H12O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
PubChem CID118564981
Molecular FormulaC22H12O
Molecular Weight292.34 g/mol
Exact Mass292.09
IUPAC Name4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
SMILESc1cc2c3c(cccc3c1)-c1c-2ccc2c1oc1ccccc12
InChIInChI=1S/C22H12O/c1-2-10-19-14(7-1)17-12-11-16-15-8-3-5-13-6-4-9-18(20(13)15)21(16)22(17)23-19/h1-12H
InChIKeyXRFBCZJEIKHRQQ-UHFFFAOYSA-N
XLogP6.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene with MolForge

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Related Compounds

9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene
CID 166846548
4,4,5,5-tetramethyl-2-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-17-yl)-1,3,2-dioxaborolane
CID 174079232
2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 146658795
4-anthracen-9-yldibenzofuran
CID 167187282
4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454066
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516
2-naphthalen-2-yl-4-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166846387
4-[10-(2-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 167187249
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 59413106
11-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130213598
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine
CID 166846399

Frequently Asked Questions

What is the IUPAC name of 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene?
The IUPAC name of 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene (CID 118564981) is 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene.
What is the SMILES notation for 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene?
The canonical SMILES for 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene is c1cc2c3c(cccc3c1)-c1c-2ccc2c1oc1ccccc12.
What is the InChIKey of 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene?
The InChIKey is XRFBCZJEIKHRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O/c1-2-10-19-14(7-1)17-12-11-16-15-8-3-5-13-6-4-9-18(20(13)15)21(16)22(17)23-19/h1-12H.
What are the key properties of 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene?
4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene has a molecular weight of 292.34 g/mol, XLogP of 6.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene is sourced from PubChem (CID 118564981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).