(2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol

C46H60O4 — CID 15977658

IUPAC(2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol
SMILESCC(C)(C)C1=C/C2=C/c3cc(C(C)(C)C)cc(c3O)CC3=CC(C(C)(C)C)=C/C(=C/c4cc(C(C)(C)C)cc(c4O)CC(=C1)C2(C)O)C3(C)O
InChIInChI=1S/C46H60O4/c1-41(2,3)31-15-27-19-35-23-33(43(7,8)9)25-37(45(35,13)49)21-29-17-32(42(4,5)6)18-30(40(29)48)22-38-26-34(44(10,11)12)24-36(46(38,14)50)20-28(16-31)39(27)47/h15-19,22-26,47-50H,20-21H2,1-14H3/b35-19-,38-22-
InChIKeyWCOPJIPNLGQLIC-PXETZPJGSA-N
MW676.98 g/mol
LogP10.59
Rot. Bonds

About (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol

(2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol (PubChem CID 15977658) has the molecular formula C46H60O4 and a molecular weight of 676.98 g/mol. Its IUPAC name is (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol.

Molecular Properties

Compound Name(2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol
PubChem CID15977658
Molecular FormulaC46H60O4
Molecular Weight676.98 g/mol
Exact Mass676.45
IUPAC Name(2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol
SMILESCC(C)(C)C1=C/C2=C/c3cc(C(C)(C)C)cc(c3O)CC3=CC(C(C)(C)C)=C/C(=C/c4cc(C(C)(C)C)cc(c4O)CC(=C1)C2(C)O)C3(C)O
InChIInChI=1S/C46H60O4/c1-41(2,3)31-15-27-19-35-23-33(43(7,8)9)25-37(45(35,13)49)21-29-17-32(42(4,5)6)18-30(40(29)48)22-38-26-34(44(10,11)12)24-36(46(38,14)50)20-28(16-31)39(27)47/h15-19,22-26,47-50H,20-21H2,1-14H3/b35-19-,38-22-
InChIKeyWCOPJIPNLGQLIC-PXETZPJGSA-N
XLogP10.59
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.98
LogP ≤ 510.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol with MolForge

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Related Compounds

5,11,17,23-tetratert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
CID 14714984
5,23-dibromo-11,17,29,35-tetratert-butylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27,29,31(38),33(37),34-octadecaene-37,38,39,40,41,42-hexol
CID 10653594
bis(acetonitrile);5,11,17,23,29,35-hexatert-butylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol
CID 139198668
5-tert-butylpentacyclo[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-tetrol
CID 10767079
5,11,17,23,29-pentatert-butyl-35-fluorohexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34-tetrol
CID 10843102
6,13,20,27-tetratert-butylpentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(28),4,6,8(32),11,13,15(31),18(30),19,21,25(29),26-dodecaene-29,30,31,32-tetrol
CID 12707932
(16R,21R)-5,11,26-tritert-butyl-15,22-diazapentacyclo[22.3.1.13,7.19,13.016,21]triaconta-1(28),3,5,7(30),9(29),10,12,14,22,24,26-undecaene-28,29,30-triol
CID 135530155
5,11,17,23,29-pentatert-butyl-8,8-dimethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-4,12,31,32,33-pentol
CID 11007375
5,11-ditert-butyl-17,23-dinitropentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol
CID 10699174
5,11,17,23,29,35,41,47-octatert-butyl-53,54,55,56-tetramethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3(56),4,6,9(55),10,12,15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45(49),46-tetracosaene-49,50,51,52-tetrol
CID 10102968
5,11,17,23,29,35,41,47-octatert-butyl-50,52,53,54,55,56-hexamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3(56),4,6,9(55),10,12,15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45(49),46-tetracosaene-49,51-diol
CID 10748996
5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxyhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene-31-diazonium
CID 10581723

Frequently Asked Questions

What is the IUPAC name of (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
The IUPAC name of (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol (CID 15977658) is (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol.
What is the SMILES notation for (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
The canonical SMILES for (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol is CC(C)(C)C1=C/C2=C/c3cc(C(C)(C)C)cc(c3O)CC3=CC(C(C)(C)C)=C/C(=C/c4cc(C(C)(C)C)cc(c4O)CC(=C1)C2(C)O)C3(C)O.
What is the InChIKey of (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
The InChIKey is WCOPJIPNLGQLIC-PXETZPJGSA-N. The full InChI is InChI=1S/C46H60O4/c1-41(2,3)31-15-27-19-35-23-33(43(7,8)9)25-37(45(35,13)49)21-29-17-32(42(4,5)6)18-30(40(29)48)22-38-26-34(44(10,11)12)24-36(46(38,14)50)20-28(16-31)39(27)47/h15-19,22-26,47-50H,20-21H2,1-14H3/b35-19-,38-22-.
What are the key properties of (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
(2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol has a molecular weight of 676.98 g/mol, XLogP of 10.59, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,14Z)-5,11,17,23-tetratert-butyl-26,28-dimethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),2,4,6,9(27),10,12,14,16,18,21(25),22-dodecaene-25,26,27,28-tetrol is sourced from PubChem (CID 15977658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).