10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene

C34H26O2 — CID 90366560

IUPAC10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene
SMILESCC1(C)c2ccccc2Oc2c1cc1ccc3cc4c(c5ccc2c1c35)Oc1ccccc1C4(C)C
InChIInChI=1S/C34H26O2/c1-33(2)23-9-5-7-11-27(23)35-31-21-15-16-22-30-20(14-13-19(29(21)30)17-25(31)33)18-26-32(22)36-28-12-8-6-10-24(28)34(26,3)4/h5-18H,1-4H3
InChIKeyKJKMKABFLRFWRI-UHFFFAOYSA-N
MW466.58 g/mol
LogP9.45
Rot. Bonds

About 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene

10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene (PubChem CID 90366560) has the molecular formula C34H26O2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene.

Molecular Properties

Compound Name10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene
PubChem CID90366560
Molecular FormulaC34H26O2
Molecular Weight466.58 g/mol
Exact Mass466.19
IUPAC Name10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene
SMILESCC1(C)c2ccccc2Oc2c1cc1ccc3cc4c(c5ccc2c1c35)Oc1ccccc1C4(C)C
InChIInChI=1S/C34H26O2/c1-33(2)23-9-5-7-11-27(23)35-31-21-15-16-22-30-20(14-13-19(29(21)30)17-25(31)33)18-26-32(22)36-28-12-8-6-10-24(28)34(26,3)4/h5-18H,1-4H3
InChIKeyKJKMKABFLRFWRI-UHFFFAOYSA-N
XLogP9.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene with MolForge

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Related Compounds

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CID 123216847
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
4-[8-(9,9-dimethylxanthen-4-yl)-10-(4,5-dinaphthalen-1-ylanthracen-9-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333841
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CID 142384701
9,9-dimethylxanthene;phenylphosphane
CID 155388268
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CID 155333253
N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 90365672
9,9-dimethylxanthene;triphenylphosphane
CID 175584517
bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186
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Frequently Asked Questions

What is the IUPAC name of 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene?
The IUPAC name of 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene (CID 90366560) is 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene.
What is the SMILES notation for 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene?
The canonical SMILES for 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene is CC1(C)c2ccccc2Oc2c1cc1ccc3cc4c(c5ccc2c1c35)Oc1ccccc1C4(C)C.
What is the InChIKey of 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene?
The InChIKey is KJKMKABFLRFWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O2/c1-33(2)23-9-5-7-11-27(23)35-31-21-15-16-22-30-20(14-13-19(29(21)30)17-25(31)33)18-26-32(22)36-28-12-8-6-10-24(28)34(26,3)4/h5-18H,1-4H3.
What are the key properties of 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene?
10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene has a molecular weight of 466.58 g/mol, XLogP of 9.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene is sourced from PubChem (CID 90366560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).