25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene

C64H88O4 — CID 132559227

IUPAC25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
SMILESC=C1c2cc(C(C)(C)C)cc(c2OCCCC)C(=C)c2cc(C(C)(C)C)cc(c2OCCCC)C(=C)c2cc(C(C)(C)C)cc(c2OCCCC)C(=C)c2cc(C(C)(C)C)cc1c2OCCCC
InChIInChI=1S/C64H88O4/c1-21-25-29-65-57-49-33-45(61(9,10)11)34-50(57)42(6)52-36-47(63(15,16)17)38-54(59(52)67-31-27-23-3)44(8)56-40-48(64(18,19)20)39-55(60(56)68-32-28-24-4)43(7)53-37-46(62(12,13)14)35-51(41(49)5)58(53)66-30-26-22-2/h33-40H,5-8,21-32H2,1-4,9-20H3
InChIKeyUFSHGCJDZIXONW-UHFFFAOYSA-N
MW921.40 g/mol
LogP18.15
Rot. Bonds16

About 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene

25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene (PubChem CID 132559227) has the molecular formula C64H88O4 and a molecular weight of 921.40 g/mol. Its IUPAC name is 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene.

Molecular Properties

Compound Name25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
PubChem CID132559227
Molecular FormulaC64H88O4
Molecular Weight921.40 g/mol
Exact Mass920.67
IUPAC Name25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
SMILESC=C1c2cc(C(C)(C)C)cc(c2OCCCC)C(=C)c2cc(C(C)(C)C)cc(c2OCCCC)C(=C)c2cc(C(C)(C)C)cc(c2OCCCC)C(=C)c2cc(C(C)(C)C)cc1c2OCCCC
InChIInChI=1S/C64H88O4/c1-21-25-29-65-57-49-33-45(61(9,10)11)34-50(57)42(6)52-36-47(63(15,16)17)38-54(59(52)67-31-27-23-3)44(8)56-40-48(64(18,19)20)39-55(60(56)68-32-28-24-4)43(7)53-37-46(62(12,13)14)35-51(41(49)5)58(53)66-30-26-22-2/h33-40H,5-8,21-32H2,1-4,9-20H3
InChIKeyUFSHGCJDZIXONW-UHFFFAOYSA-N
XLogP18.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.40
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxy-3,5-ditert-butylbenzene
CID 57175272
25,27-dibutoxy-5,11,17,23-tetratert-butyl-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101368304
(2-butoxy-3,5-ditert-butylphenyl)boronic acid
CID 22345412
29,30,31,32-tetrabutoxy-5,13,19,27-tetratert-butyl-9,23-dioxapentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(29),3(32),4,6,11,13,15(31),17(30),18,20,25,27-dodecaene
CID 101332525
CID 139123060
CID 139123060
3-bromo-2-butoxy-5-tert-butylbenzaldehyde
CID 87533116
14,29-ditert-butyl-6,7,21,22-tetrakis(4-decoxyphenyl)-3,10,18,25-tetrazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1(30),2,4(9),5,7,10,12,14,16(32),17,19(24),20,22,25,27(31),28-hexadecaene
CID 102408073
2-amino-1,1-bis(4-butoxy-3,5-ditert-butylphenyl)propan-1-ol
CID 67327177
2-tert-butyl-9,10-di(heptadecoxy)anthracene
CID 139930060
2-tert-butyl-9,10-dioctadecoxyanthracene
CID 139930365
2-tert-butyl-9,10-dioctoxyanthracene
CID 139930300
1,3,5-tributoxybenzene
CID 15933337

Frequently Asked Questions

What is the IUPAC name of 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
The IUPAC name of 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene (CID 132559227) is 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene.
What is the SMILES notation for 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
The canonical SMILES for 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene is C=C1c2cc(C(C)(C)C)cc(c2OCCCC)C(=C)c2cc(C(C)(C)C)cc(c2OCCCC)C(=C)c2cc(C(C)(C)C)cc(c2OCCCC)C(=C)c2cc(C(C)(C)C)cc1c2OCCCC.
What is the InChIKey of 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
The InChIKey is UFSHGCJDZIXONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H88O4/c1-21-25-29-65-57-49-33-45(61(9,10)11)34-50(57)42(6)52-36-47(63(15,16)17)38-54(59(52)67-31-27-23-3)44(8)56-40-48(64(18,19)20)39-55(60(56)68-32-28-24-4)43(7)53-37-46(62(12,13)14)35-51(41(49)5)58(53)66-30-26-22-2/h33-40H,5-8,21-32H2,1-4,9-20H3.
What are the key properties of 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene has a molecular weight of 921.40 g/mol, XLogP of 18.15, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene is sourced from PubChem (CID 132559227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).