4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

C48H64O4 — CID 53473980

IUPAC4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
SMILESCOc1ccc2cc1C(CC(C)C)c1ccc(OC)c(c1)C(CC(C)C)c1ccc(OC)c(c1)C(CC(C)C)c1ccc(OC)c(c1)C2CC(C)C
InChIInChI=1S/C48H64O4/c1-29(2)21-37-33-13-17-46(50-10)42(25-33)39(23-31(5)6)35-15-19-48(52-12)44(27-35)40(24-32(7)8)36-16-20-47(51-11)43(28-36)38(22-30(3)4)34-14-18-45(49-9)41(37)26-34/h13-20,25-32,37-40H,21-24H2,1-12H3
InChIKeyGFORNYCYIGJTCS-UHFFFAOYSA-N
MW705.04 g/mol
LogP12.75
Rot. Bonds12

About 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene (PubChem CID 53473980) has the molecular formula C48H64O4 and a molecular weight of 705.04 g/mol. Its IUPAC name is 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene.

Molecular Properties

Compound Name4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
PubChem CID53473980
Molecular FormulaC48H64O4
Molecular Weight705.04 g/mol
Exact Mass704.48
IUPAC Name4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
SMILESCOc1ccc2cc1C(CC(C)C)c1ccc(OC)c(c1)C(CC(C)C)c1ccc(OC)c(c1)C(CC(C)C)c1ccc(OC)c(c1)C2CC(C)C
InChIInChI=1S/C48H64O4/c1-29(2)21-37-33-13-17-46(50-10)42(25-33)39(23-31(5)6)35-15-19-48(52-12)44(27-35)40(24-32(7)8)36-16-20-47(51-11)43(28-36)38(22-30(3)4)34-14-18-45(49-9)41(37)26-34/h13-20,25-32,37-40H,21-24H2,1-12H3
InChIKeyGFORNYCYIGJTCS-UHFFFAOYSA-N
XLogP12.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.04
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene?
The IUPAC name of 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene (CID 53473980) is 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene.
What is the SMILES notation for 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene?
The canonical SMILES for 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene is COc1ccc2cc1C(CC(C)C)c1ccc(OC)c(c1)C(CC(C)C)c1ccc(OC)c(c1)C(CC(C)C)c1ccc(OC)c(c1)C2CC(C)C.
What is the InChIKey of 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene?
The InChIKey is GFORNYCYIGJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64O4/c1-29(2)21-37-33-13-17-46(50-10)42(25-33)39(23-31(5)6)35-15-19-48(52-12)44(27-35)40(24-32(7)8)36-16-20-47(51-11)43(28-36)38(22-30(3)4)34-14-18-45(49-9)41(37)26-34/h13-20,25-32,37-40H,21-24H2,1-12H3.
What are the key properties of 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene?
4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene has a molecular weight of 705.04 g/mol, XLogP of 12.75, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,16,22-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene is sourced from PubChem (CID 53473980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).