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

C266H462O2 — CID 161446336

IUPAC4,6-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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=C2CC3(CC2=C(C(C)(C)C)C1)OCCO3.CC(C)(C)C1=C2CC3(CCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CCCC1(CC)CC2=C(C(C)(C)C)CC(C(C)(C)C)=C2C1
InChIInChI=1S/4C21H34.C21H36.5C20H32.C19H30.C18H28O2.12C2H6/c4*1-19(2,3)17-12-18(20(4,5)6)16-14-21(13-15(16)17)10-8-7-9-11-21;1-9-11-21(10-2)13-15-16(14-21)18(20(6,7)8)12-17(15)19(3,4)5;5*1-18(2,3)16-11-17(19(4,5)6)15-13-20(12-14(15)16)9-7-8-10-20;1-17(2,3)15-10-16(18(4,5)6)14-12-19(8-7-9-19)11-13(14)15;1-16(2,3)14-9-15(17(4,5)6)13-11-18(10-12(13)14)19-7-8-20-18;12*1-2/h4*7-14H2,1-6H3;9-14H2,1-8H3;5*7-13H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3;12*1-2H3
InChIKeyVZYAQGMIKBRAID-UHFFFAOYSA-N
MW3692.62 g/mol
LogP89.46
Rot. Bonds3

About 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

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 (PubChem CID 161446336) has the molecular formula C266H462O2 and a molecular weight of 3692.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,6-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
PubChem CID161446336
Molecular FormulaC266H462O2
Molecular Weight3692.62 g/mol
Exact Mass3689.60
IUPAC Name4,6-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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=C2CC3(CC2=C(C(C)(C)C)C1)OCCO3.CC(C)(C)C1=C2CC3(CCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CCCC1(CC)CC2=C(C(C)(C)C)CC(C(C)(C)C)=C2C1
InChIInChI=1S/4C21H34.C21H36.5C20H32.C19H30.C18H28O2.12C2H6/c4*1-19(2,3)17-12-18(20(4,5)6)16-14-21(13-15(16)17)10-8-7-9-11-21;1-9-11-21(10-2)13-15-16(14-21)18(20(6,7)8)12-17(15)19(3,4)5;5*1-18(2,3)16-11-17(19(4,5)6)15-13-20(12-14(15)16)9-7-8-10-20;1-17(2,3)15-10-16(18(4,5)6)14-12-19(8-7-9-19)11-13(14)15;1-16(2,3)14-9-15(17(4,5)6)13-11-18(10-12(13)14)19-7-8-20-18;12*1-2/h4*7-14H2,1-6H3;9-14H2,1-8H3;5*7-13H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3;12*1-2H3
InChIKeyVZYAQGMIKBRAID-UHFFFAOYSA-N
XLogP89.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms268
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003692.62
LogP ≤ 589.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
1-ethyl-1-propylcyclobutane
CID 58586108
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
ethane;1-ethyl-1-propylcyclopropane;propane
CID 177054904
1,1-diethylcyclohexane;ethane
CID 142116480
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
4-ethyl-4-propyloxane
CID 142221834
1,4-dioxadispiro[4.1.57.15]tridecane
CID 177024973
2-tert-butyl-2-ethyloxetane
CID 89426434
1-(bromomethyl)-1-propylcyclobutane
CID 66050850
ethane;1-ethyl-1-(fluoromethyl)cyclohexane
CID 142943476
N-methyl-2-propyloxan-2-amine
CID 155375568

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=C2CC3(CC2=C(C(C)(C)C)C1)OCCO3.CC(C)(C)C1=C2CC3(CCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CC(C)(C)C1=C2CC3(CCCCC3)CC2=C(C(C)(C)C)C1.CCCC1(CC)CC2=C(C(C)(C)C)CC(C(C)(C)C)=C2C1.
What is the InChIKey of 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?
The InChIKey is VZYAQGMIKBRAID-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H34.C21H36.5C20H32.C19H30.C18H28O2.12C2H6/c4*1-19(2,3)17-12-18(20(4,5)6)16-14-21(13-15(16)17)10-8-7-9-11-21;1-9-11-21(10-2)13-15-16(14-21)18(20(6,7)8)12-17(15)19(3,4)5;5*1-18(2,3)16-11-17(19(4,5)6)15-13-20(12-14(15)16)9-7-8-10-20;1-17(2,3)15-10-16(18(4,5)6)14-12-19(8-7-9-19)11-13(14)15;1-16(2,3)14-9-15(17(4,5)6)13-11-18(10-12(13)14)19-7-8-20-18;12*1-2/h4*7-14H2,1-6H3;9-14H2,1-8H3;5*7-13H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3;12*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3692.62 g/mol, XLogP of 89.46, 3 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-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 is sourced from PubChem (CID 161446336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).