6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene

C23H14O — CID 130422159

IUPAC6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene
SMILESC1=Cc2c(cc3cccc4c5cccc6cccc(c2c34)c65)OC1
InChIInChI=1S/C23H14O/c1-5-14-6-2-10-19-21(14)16(8-1)17-9-3-7-15-13-20-18(11-4-12-24-20)23(19)22(15)17/h1-11,13H,12H2
InChIKeyIATYVRRZVLJCLC-UHFFFAOYSA-N
MW306.36 g/mol
LogP6.14
Rot. Bonds

About 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene

6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene (PubChem CID 130422159) has the molecular formula C23H14O and a molecular weight of 306.36 g/mol. Its IUPAC name is 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene.

Molecular Properties

Compound Name6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene
PubChem CID130422159
Molecular FormulaC23H14O
Molecular Weight306.36 g/mol
Exact Mass306.10
IUPAC Name6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene
SMILESC1=Cc2c(cc3cccc4c5cccc6cccc(c2c34)c65)OC1
InChIInChI=1S/C23H14O/c1-5-14-6-2-10-19-21(14)16(8-1)17-9-3-7-15-13-20-18(11-4-12-24-20)23(19)22(15)17/h1-11,13H,12H2
InChIKeyIATYVRRZVLJCLC-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene with MolForge

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Related Compounds

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CID 175301809
ethane;hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 90911318
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undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
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CID 86240868
2-[1-(1,3,2-dioxaborolan-2-yl)perylen-2-yl]-1,3,2-dioxaborolane
CID 87542870
pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene
CID 57357666

Frequently Asked Questions

What is the IUPAC name of 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene?
The IUPAC name of 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene (CID 130422159) is 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene.
What is the SMILES notation for 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene?
The canonical SMILES for 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene is C1=Cc2c(cc3cccc4c5cccc6cccc(c2c34)c65)OC1.
What is the InChIKey of 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene?
The InChIKey is IATYVRRZVLJCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O/c1-5-14-6-2-10-19-21(14)16(8-1)17-9-3-7-15-13-20-18(11-4-12-24-20)23(19)22(15)17/h1-11,13H,12H2.
What are the key properties of 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene?
6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene has a molecular weight of 306.36 g/mol, XLogP of 6.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2(7),3,8,10,12,14,16,18(24),19,21-undecaene is sourced from PubChem (CID 130422159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).