5,11,17,23-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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

C38H44O4 — CID 14938119

IUPAC5,11,17,23-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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
SMILESCc1cc2c(O)c(c1)C(C(C)C)c1cc(C)cc(c1O)Cc1cc(C)cc(c1O)C(C(C)C)c1cc(C)cc(c1O)C2
InChIInChI=1S/C38H44O4/c1-19(2)33-29-13-21(5)9-25(35(29)39)17-27-11-23(7)15-31(37(27)41)34(20(3)4)32-16-24(8)12-28(38(32)42)18-26-10-22(6)14-30(33)36(26)40/h9-16,19-20,33-34,39-42H,17-18H2,1-8H3
InChIKeyPMUVUMCFLPNQIC-UHFFFAOYSA-N
MW564.77 g/mol
LogP8.81
Rot. Bonds2

About 5,11,17,23-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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 14938119) has the molecular formula C38H44O4 and a molecular weight of 564.77 g/mol. Its IUPAC name is 5,11,17,23-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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 CID14938119
Molecular FormulaC38H44O4
Molecular Weight564.77 g/mol
Exact Mass564.32
IUPAC Name5,11,17,23-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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
SMILESCc1cc2c(O)c(c1)C(C(C)C)c1cc(C)cc(c1O)Cc1cc(C)cc(c1O)C(C(C)C)c1cc(C)cc(c1O)C2
InChIInChI=1S/C38H44O4/c1-19(2)33-29-13-21(5)9-25(35(29)39)17-27-11-23(7)15-31(37(27)41)34(20(3)4)32-16-24(8)12-28(38(32)42)18-26-10-22(6)14-30(33)36(26)40/h9-16,19-20,33-34,39-42H,17-18H2,1-8H3
InChIKeyPMUVUMCFLPNQIC-UHFFFAOYSA-N
XLogP8.81
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 58.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5,11,17,23-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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 14938119) is 5,11,17,23-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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 Cc1cc2c(O)c(c1)C(C(C)C)c1cc(C)cc(c1O)Cc1cc(C)cc(c1O)C(C(C)C)c1cc(C)cc(c1O)C2.
What is the InChIKey of 5,11,17,23-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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 PMUVUMCFLPNQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44O4/c1-19(2)33-29-13-21(5)9-25(35(29)39)17-27-11-23(7)15-31(37(27)41)34(20(3)4)32-16-24(8)12-28(38(32)42)18-26-10-22(6)14-30(33)36(26)40/h9-16,19-20,33-34,39-42H,17-18H2,1-8H3.
What are the key properties of 5,11,17,23-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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 564.77 g/mol, XLogP of 8.81, 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-tetramethyl-2,14-di(propan-2-yl)pentacyclo[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 14938119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).