4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten

C263H434O2W — CID 159980490

IUPAC4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(C2)OCCO1.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC1CC2=C(C(C)(C)C)CC(C(C)(C)C)=C2C1.[W]
InChIInChI=1S/5C21H32.3C20H30.C19H28O2.2C19H28.C17H28.12C2H6.W/c5*1-19(2,3)17-9-10-18(20(4,5)6)16-14-21(13-15(16)17)11-7-8-12-21;3*1-18(2,3)16-8-9-17(19(4,5)6)15-13-20(10-7-11-20)12-14(15)16;1-17(2,3)15-7-8-16(18(4,5)6)14-12-19(11-13(14)15)20-9-10-21-19;2*1-17(2,3)15-7-8-16(18(4,5)6)14-12-19(9-10-19)11-13(14)15;1-11-8-12-13(9-11)15(17(5,6)7)10-14(12)16(2,3)4;12*1-2;/h5*9-10H,7-8,11-14H2,1-6H3;3*8-9H,7,10-13H2,1-6H3;7-8H,9-12H2,1-6H3;2*7-8H,9-12H2,1-6H3;11H,8-10H2,1-7H3;12*1-2H3;
InChIKeyOFRXFSFBUIPUQV-UHFFFAOYSA-N
MW3812.20 g/mol
LogP78.62
Rot. Bonds

About 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten

4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten (PubChem CID 159980490) has the molecular formula C263H434O2W and a molecular weight of 3812.20 g/mol. Its IUPAC name is 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten.

Molecular Properties

Compound Name4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten
PubChem CID159980490
Molecular FormulaC263H434O2W
Molecular Weight3812.20 g/mol
Exact Mass3809.34
IUPAC Name4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(C2)OCCO1.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC1CC2=C(C(C)(C)C)CC(C(C)(C)C)=C2C1.[W]
InChIInChI=1S/5C21H32.3C20H30.C19H28O2.2C19H28.C17H28.12C2H6.W/c5*1-19(2,3)17-9-10-18(20(4,5)6)16-14-21(13-15(16)17)11-7-8-12-21;3*1-18(2,3)16-8-9-17(19(4,5)6)15-13-20(10-7-11-20)12-14(15)16;1-17(2,3)15-7-8-16(18(4,5)6)14-12-19(11-13(14)15)20-9-10-21-19;2*1-17(2,3)15-7-8-16(18(4,5)6)14-12-19(9-10-19)11-13(14)15;1-11-8-12-13(9-11)15(17(5,6)7)10-14(12)16(2,3)4;12*1-2;/h5*9-10H,7-8,11-14H2,1-6H3;3*8-9H,7,10-13H2,1-6H3;7-8H,9-12H2,1-6H3;2*7-8H,9-12H2,1-6H3;11H,8-10H2,1-7H3;12*1-2H3;
InChIKeyOFRXFSFBUIPUQV-UHFFFAOYSA-N
XLogP78.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms266
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003812.20
LogP ≤ 578.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten with MolForge

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Related Compounds

4,6-ditert-butyl-2-ethyl-2-propyl-3,5-dihydro-1H-pentalene;4,6-ditert-butylspiro[3,5-dihydro-1H-pentalene-2,1'-cyclobutane];tetrakis(4,6-ditert-butylspiro[3,5-dihydro-1H-pentalene-2,1'-cyclohexane]);pentakis(4,6-ditert-butylspiro[3,5-dihydro-1H-pentalene-2,1'-cyclopentane]);4',6'-ditert-butylspiro[1,3-dioxolane-2,2'-3,5-dihydro-1H-pentalene];ethane
CID 161446336
8-(7-bromospiro[1,3-dihydroindene-2,1'-cyclopentane]-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 90137526
4,7-ditert-butylspiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 90181155
ethane;4,4',7-trimethylspiro[1,3-dihydroindene-2,1'-cyclohexane]
CID 144506573
8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
8-tert-butyl-8-methylspiro[4.5]decane
CID 59599278
ethane;7-methylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-ol
CID 144506413
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]
CID 118461515
4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]
CID 140642350
8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595636

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten?
The IUPAC name of 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten (CID 159980490) is 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten.
What is the SMILES notation for 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten?
The canonical SMILES for 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(C2)OCCO1.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC(C)(C)c1ccc(C(C)(C)C)c2c1CC1(CCCC1)C2.CC1CC2=C(C(C)(C)C)CC(C(C)(C)C)=C2C1.[W].
What is the InChIKey of 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten?
The InChIKey is OFRXFSFBUIPUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/5C21H32.3C20H30.C19H28O2.2C19H28.C17H28.12C2H6.W/c5*1-19(2,3)17-9-10-18(20(4,5)6)16-14-21(13-15(16)17)11-7-8-12-21;3*1-18(2,3)16-8-9-17(19(4,5)6)15-13-20(10-7-11-20)12-14(15)16;1-17(2,3)15-7-8-16(18(4,5)6)14-12-19(11-13(14)15)20-9-10-21-19;2*1-17(2,3)15-7-8-16(18(4,5)6)14-12-19(9-10-19)11-13(14)15;1-11-8-12-13(9-11)15(17(5,6)7)10-14(12)16(2,3)4;12*1-2;/h5*9-10H,7-8,11-14H2,1-6H3;3*8-9H,7,10-13H2,1-6H3;7-8H,9-12H2,1-6H3;2*7-8H,9-12H2,1-6H3;11H,8-10H2,1-7H3;12*1-2H3;.
What are the key properties of 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten?
4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten has a molecular weight of 3812.20 g/mol, XLogP of 78.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten is sourced from PubChem (CID 159980490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).