10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane

C35H80 — CID 162269085

IUPAC10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane
SMILESC.C.C.C.C.C.CC.CC.CC1C2CCCCC2C2CC3C(CC12)C(C)C1CCCCC13.CCC
InChIInChI=1S/C22H36.C3H8.2C2H6.6CH4/c1-13-15-7-3-5-9-17(15)21-12-22-18-10-6-4-8-16(18)14(2)20(22)11-19(13)21;1-3-2;2*1-2;;;;;;/h13-22H,3-12H2,1-2H3;3H2,1-2H3;2*1-2H3;6*1H4
InChIKeyLCOXOEBICOVUDT-UHFFFAOYSA-N
MW501.03 g/mol
LogP13.44
Rot. Bonds

About 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane

10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane (PubChem CID 162269085) has the molecular formula C35H80 and a molecular weight of 501.03 g/mol. Its IUPAC name is 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane.

Molecular Properties

Compound Name10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane
PubChem CID162269085
Molecular FormulaC35H80
Molecular Weight501.03 g/mol
Exact Mass500.63
IUPAC Name10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane
SMILESC.C.C.C.C.C.CC.CC.CC1C2CCCCC2C2CC3C(CC12)C(C)C1CCCCC13.CCC
InChIInChI=1S/C22H36.C3H8.2C2H6.6CH4/c1-13-15-7-3-5-9-17(15)21-12-22-18-10-6-4-8-16(18)14(2)20(22)11-19(13)21;1-3-2;2*1-2;;;;;;/h13-22H,3-12H2,1-2H3;3H2,1-2H3;2*1-2H3;6*1H4
InChIKeyLCOXOEBICOVUDT-UHFFFAOYSA-N
XLogP13.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane with MolForge

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Related Compounds

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(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
ethane;methylcyclopentane;propane
CID 142080084
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
CID 102370300
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
methane;methylcyclohexane;propane
CID 143031585
10-methyltetracyclo[7.3.1.02,7.06,11]tridecane
CID 59760764
(1R,8S)-9-methylbicyclo[6.1.0]non-4-yne;propane
CID 161218394
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179

Frequently Asked Questions

What is the IUPAC name of 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane?
The IUPAC name of 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane (CID 162269085) is 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane.
What is the SMILES notation for 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane?
The canonical SMILES for 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane is C.C.C.C.C.C.CC.CC.CC1C2CCCCC2C2CC3C(CC12)C(C)C1CCCCC13.CCC.
What is the InChIKey of 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane?
The InChIKey is LCOXOEBICOVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36.C3H8.2C2H6.6CH4/c1-13-15-7-3-5-9-17(15)21-12-22-18-10-6-4-8-16(18)14(2)20(22)11-19(13)21;1-3-2;2*1-2;;;;;;/h13-22H,3-12H2,1-2H3;3H2,1-2H3;2*1-2H3;6*1H4.
What are the key properties of 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane?
10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane has a molecular weight of 501.03 g/mol, XLogP of 13.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane is sourced from PubChem (CID 162269085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).