9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane

C86H156 — CID 160940084

IUPAC9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane
SMILESCC(C)(C)C1C(C)(C)CC2(CCCCC2)CC1(C)C.CC(C)(C)C1CCC2(CC1)CC1CC2C1.CC(C)(C)C1CCC2(CC1)CC1CCC2C1.CC(C)(C)C1CCC2(CC1)CCC1(CCCC1)CC2.CC1(C)CCC2(CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H34.C19H36.C17H32.C16H28.C15H26/c1-17(2,3)16-6-10-19(11-7-16)14-12-18(13-15-19)8-4-5-9-18;1-16(2,3)15-17(4,5)13-19(14-18(15,6)7)11-9-8-10-12-19;1-15(2,3)14-6-8-17(9-7-14)12-10-16(4,5)11-13-17;1-15(2,3)13-6-8-16(9-7-13)11-12-4-5-14(16)10-12;1-14(2,3)12-4-6-15(7-5-12)10-11-8-13(15)9-11/h16H,4-15H2,1-3H3;15H,8-14H2,1-7H3;14H,6-13H2,1-5H3;12-14H,4-11H2,1-3H3;11-13H,4-10H2,1-3H3
InChIKeySUJXVDOYLGECDP-UHFFFAOYSA-N
MW1190.19 g/mol
LogP28.27
Rot. Bonds

About 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane

9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane (PubChem CID 160940084) has the molecular formula C86H156 and a molecular weight of 1190.19 g/mol. Its IUPAC name is 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane
PubChem CID160940084
Molecular FormulaC86H156
Molecular Weight1190.19 g/mol
Exact Mass1189.22
IUPAC Name9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane
SMILESCC(C)(C)C1C(C)(C)CC2(CCCCC2)CC1(C)C.CC(C)(C)C1CCC2(CC1)CC1CC2C1.CC(C)(C)C1CCC2(CC1)CC1CCC2C1.CC(C)(C)C1CCC2(CC1)CCC1(CCCC1)CC2.CC1(C)CCC2(CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H34.C19H36.C17H32.C16H28.C15H26/c1-17(2,3)16-6-10-19(11-7-16)14-12-18(13-15-19)8-4-5-9-18;1-16(2,3)15-17(4,5)13-19(14-18(15,6)7)11-9-8-10-12-19;1-15(2,3)14-6-8-17(9-7-14)12-10-16(4,5)11-13-17;1-15(2,3)13-6-8-16(9-7-13)11-12-4-5-14(16)10-12;1-14(2,3)12-4-6-15(7-5-12)10-11-8-13(15)9-11/h16H,4-15H2,1-3H3;15H,8-14H2,1-7H3;14H,6-13H2,1-5H3;12-14H,4-11H2,1-3H3;11-13H,4-10H2,1-3H3
InChIKeySUJXVDOYLGECDP-UHFFFAOYSA-N
XLogP28.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.19
LogP ≤ 528.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane with MolForge

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Related Compounds

12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
(3aS,6aR)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane];8-tert-butyl-8-deuteriospiro[4.5]decane;3-tert-butyl-3-deuteriospiro[5.6]dodecane;3-tert-butyl-3-deuteriospiro[5.5]undecane;8-tert-butyl-7,7,8,9,9-pentadeuteriospiro[4.5]decane;4'-tert-butylspiro[bicyclo[3.3.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.2.2]decane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.3]dodecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];5-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];6-tert-butylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];7-tert-butylspiro[bicyclo[3.3.1]nonane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.2.1]octane-6,1'-cyclohexane];4'-tert-butylspiro[bicyclo[3.3.3]undecane-3,1'-cyclohexane];4'-tert-butylspiro[bicyclo[4.3.2]undecane-3,1'-cyclohexane]
CID 160627967
7-tert-butylspiro[3.5]nonane
CID 123908402
2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane
CID 164949281
spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
1-tert-butyladamantane;tert-butylcyclopentane;2,2-dimethyladamantane;1,1-dimethylcyclopentane
CID 158115985
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
6-tert-butylspiro[2.4]heptane
CID 140640828
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane
CID 163420245
2-(8-hydroxyspiro[4.5]decan-8-yl)bicyclo[2.2.1]heptane-2-carbonitrile
CID 114821132

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane (CID 160940084) is 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane is CC(C)(C)C1C(C)(C)CC2(CCCCC2)CC1(C)C.CC(C)(C)C1CCC2(CC1)CC1CC2C1.CC(C)(C)C1CCC2(CC1)CC1CCC2C1.CC(C)(C)C1CCC2(CC1)CCC1(CCCC1)CC2.CC1(C)CCC2(CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane?
The InChIKey is SUJXVDOYLGECDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34.C19H36.C17H32.C16H28.C15H26/c1-17(2,3)16-6-10-19(11-7-16)14-12-18(13-15-19)8-4-5-9-18;1-16(2,3)15-17(4,5)13-19(14-18(15,6)7)11-9-8-10-12-19;1-15(2,3)14-6-8-17(9-7-14)12-10-16(4,5)11-13-17;1-15(2,3)13-6-8-16(9-7-13)11-12-4-5-14(16)10-12;1-14(2,3)12-4-6-15(7-5-12)10-11-8-13(15)9-11/h16H,4-15H2,1-3H3;15H,8-14H2,1-7H3;14H,6-13H2,1-5H3;12-14H,4-11H2,1-3H3;11-13H,4-10H2,1-3H3.
What are the key properties of 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane?
9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane has a molecular weight of 1190.19 g/mol, XLogP of 28.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane is sourced from PubChem (CID 160940084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).