2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane

C233H280O13 — CID 160948741

IUPAC2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane
SMILESCC1(C)C(=O)c2cccc3cccc1c23.CC1(C)C2CCC1C2.CC1(C)C2CCC1CC2.CC1(C)Cc2cccc3cccc1c23.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccccc21.CCC.CCC.CCC.CCC.CCC.CCC.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C23H18.C15H14.C14H12O.C14H14.12C10H8.C9H16.C8H14.6C3H8.12CH4O/c1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14(2)11-8-4-6-9-5-3-7-10(12(9)11)13(14)15;1-14(2)9-11-7-3-5-10-6-4-8-12(14)13(10)11;12*1-2-6-10-8-4-3-7-9(10)5-1;1-9(2)7-3-4-8(9)6-5-7;1-8(2)6-3-4-7(8)5-6;6*1-3-2;12*1-2/h3-14H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-8H,9H2,1-2H3;12*1-8H;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6*3H2,1-2H3;12*2H,1H3
InChIKeySVLWLXYXNJWZBV-UHFFFAOYSA-N
MW3288.79 g/mol
LogP60.43
Rot. Bonds

About 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane

2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane (PubChem CID 160948741) has the molecular formula C233H280O13 and a molecular weight of 3288.79 g/mol. Its IUPAC name is 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane.

Molecular Properties

Compound Name2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane
PubChem CID160948741
Molecular FormulaC233H280O13
Molecular Weight3288.79 g/mol
Exact Mass3286.12
IUPAC Name2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane
SMILESCC1(C)C(=O)c2cccc3cccc1c23.CC1(C)C2CCC1C2.CC1(C)C2CCC1CC2.CC1(C)Cc2cccc3cccc1c23.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccccc21.CCC.CCC.CCC.CCC.CCC.CCC.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C23H18.C15H14.C14H12O.C14H14.12C10H8.C9H16.C8H14.6C3H8.12CH4O/c1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14(2)11-8-4-6-9-5-3-7-10(12(9)11)13(14)15;1-14(2)9-11-7-3-5-10-6-4-8-12(14)13(10)11;12*1-2-6-10-8-4-3-7-9(10)5-1;1-9(2)7-3-4-8(9)6-5-7;1-8(2)6-3-4-7(8)5-6;6*1-3-2;12*1-2/h3-14H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-8H,9H2,1-2H3;12*1-8H;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6*3H2,1-2H3;12*2H,1H3
InChIKeySVLWLXYXNJWZBV-UHFFFAOYSA-N
XLogP60.43
TPSA259.83 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003288.79
LogP ≤ 560.43
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane with MolForge

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Related Compounds

octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol
CID 160992365
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
1,1-dimethylaceanthrylen-2-one
CID 14957844
11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 159108274
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
14,14-dimethyl-8-naphthalen-2-ylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 140800333
anthracene;benzene;chrysene;9,9-dimethylfluorene;9,9-diphenylfluorene;9H-fluorene;naphthalene;phenanthrene;pyrene;9,9'-spirobi[fluorene]
CID 158056839
N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine
CID 177079923
anthracene;benzene;1,1'-biphenyl;chrysene;9,9-dimethylfluorene;(2,2-dimethylpropane);1,4-diphenylbenzene;methane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene
CID 159148400
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;ethane
CID 90782904
(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane
CID 144920508

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane?
The IUPAC name of 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane (CID 160948741) is 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane.
What is the SMILES notation for 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane?
The canonical SMILES for 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane is CC1(C)C(=O)c2cccc3cccc1c23.CC1(C)C2CCC1C2.CC1(C)C2CCC1CC2.CC1(C)Cc2cccc3cccc1c23.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccccc21.CCC.CCC.CCC.CCC.CCC.CCC.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane?
The InChIKey is SVLWLXYXNJWZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18.C15H14.C14H12O.C14H14.12C10H8.C9H16.C8H14.6C3H8.12CH4O/c1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14(2)11-8-4-6-9-5-3-7-10(12(9)11)13(14)15;1-14(2)9-11-7-3-5-10-6-4-8-12(14)13(10)11;12*1-2-6-10-8-4-3-7-9(10)5-1;1-9(2)7-3-4-8(9)6-5-7;1-8(2)6-3-4-7(8)5-6;6*1-3-2;12*1-2/h3-14H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-8H,9H2,1-2H3;12*1-8H;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6*3H2,1-2H3;12*2H,1H3.
What are the key properties of 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane?
2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane has a molecular weight of 3288.79 g/mol, XLogP of 60.43, 0 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane is sourced from PubChem (CID 160948741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).