5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol

C48H64O4 — CID 11146915

IUPAC5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol
SMILESCCC1c2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc(c2O)C(CC)c2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc1c2O
InChIInChI=1S/C48H64O4/c1-15-35-37-23-31(45(3,4)5)19-27(41(37)49)17-29-21-33(47(9,10)11)25-39(43(29)51)36(16-2)40-26-34(48(12,13)14)22-30(44(40)52)18-28-20-32(46(6,7)8)24-38(35)42(28)50/h19-26,35-36,49-52H,15-18H2,1-14H3
InChIKeyIVGBZNYUCJEKBI-UHFFFAOYSA-N
MW705.04 g/mol
LogP12.28
Rot. Bonds2

About 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol

5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol (PubChem CID 11146915) has the molecular formula C48H64O4 and a molecular weight of 705.04 g/mol. Its IUPAC name is 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol.

Molecular Properties

Compound Name5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol
PubChem CID11146915
Molecular FormulaC48H64O4
Molecular Weight705.04 g/mol
Exact Mass704.48
IUPAC Name5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol
SMILESCCC1c2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc(c2O)C(CC)c2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc1c2O
InChIInChI=1S/C48H64O4/c1-15-35-37-23-31(45(3,4)5)19-27(41(37)49)17-29-21-33(47(9,10)11)25-39(43(29)51)36(16-2)40-26-34(48(12,13)14)22-30(44(40)52)18-28-20-32(46(6,7)8)24-38(35)42(28)50/h19-26,35-36,49-52H,15-18H2,1-14H3
InChIKeyIVGBZNYUCJEKBI-UHFFFAOYSA-N
XLogP12.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.04
LogP ≤ 512.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol?
The IUPAC name of 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol (CID 11146915) is 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol.
What is the SMILES notation for 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol?
The canonical SMILES for 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol is CCC1c2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc(c2O)C(CC)c2cc(C(C)(C)C)cc(c2O)Cc2cc(C(C)(C)C)cc1c2O.
What is the InChIKey of 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol?
The InChIKey is IVGBZNYUCJEKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64O4/c1-15-35-37-23-31(45(3,4)5)19-27(41(37)49)17-29-21-33(47(9,10)11)25-39(43(29)51)36(16-2)40-26-34(48(12,13)14)22-30(44(40)52)18-28-20-32(46(6,7)8)24-38(35)42(28)50/h19-26,35-36,49-52H,15-18H2,1-14H3.
What are the key properties of 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol?
5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol has a molecular weight of 705.04 g/mol, XLogP of 12.28, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetratert-butyl-2,14-diethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol is sourced from PubChem (CID 11146915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).