25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

C44H56O8 — CID 10484972

IUPAC25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESCCOCCOc1c2cccc1Cc1cccc(c1OCCOCC)Cc1cccc(c1OCCOCC)Cc1cccc(c1OCCOCC)C2
InChIInChI=1S/C44H56O8/c1-5-45-21-25-49-41-33-13-9-14-34(41)30-36-16-11-18-38(43(36)51-27-23-47-7-3)32-40-20-12-19-39(44(40)52-28-24-48-8-4)31-37-17-10-15-35(29-33)42(37)50-26-22-46-6-2/h9-20H,5-8,21-32H2,1-4H3
InChIKeyXTUVRVOVJJYMME-UHFFFAOYSA-N
MW712.92 g/mol
LogP8.02
Rot. Bonds20

About 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (PubChem CID 10484972) has the molecular formula C44H56O8 and a molecular weight of 712.92 g/mol. Its IUPAC name is 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.

Molecular Properties

Compound Name25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
PubChem CID10484972
Molecular FormulaC44H56O8
Molecular Weight712.92 g/mol
Exact Mass712.40
IUPAC Name25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESCCOCCOc1c2cccc1Cc1cccc(c1OCCOCC)Cc1cccc(c1OCCOCC)Cc1cccc(c1OCCOCC)C2
InChIInChI=1S/C44H56O8/c1-5-45-21-25-49-41-33-13-9-14-34(41)30-36-16-11-18-38(43(36)51-27-23-47-7-3)32-40-20-12-19-39(44(40)52-28-24-48-8-4)31-37-17-10-15-35(29-33)42(37)50-26-22-46-6-2/h9-20H,5-8,21-32H2,1-4H3
InChIKeyXTUVRVOVJJYMME-UHFFFAOYSA-N
XLogP8.02
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.92
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene with MolForge

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Related Compounds

1-[25,26,27,28-tetrakis(2-ethoxyethoxy)-17-prop-2-ynoyl-5-pentacyclo[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-dodecaenyl]prop-2-yn-1-one
CID 11007337
bis(2,3,4,5,6-pentafluorophenyl) 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[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-5,17-dicarboxylate
CID 102297512
28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene
CID 10630290
4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[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-dodecaenyl]pyridine
CID 10534052
9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione
CID 10724559
3-[[26,27,28-tris(3-aminopropoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]propan-1-amine
CID 11158060
N,N-dimethyl-2-[[26,27,28-tris[2-(dimethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]ethanamine;tetrahydrochloride
CID 57325396
25,27-bis(2-anthracen-9-yloxyethoxy)-26,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 102427600
5,11,17,23-tetratert-butyl-28-(2-ethoxyethoxy)pentacyclo[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-triol
CID 102046932
(25,26,27,28-tetrapropoxy-5-pentacyclo[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-dodecaenyl)methanol
CID 101010259
5,17-diisocyano-25,26,27,28-tetrapropoxypentacyclo[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
CID 101365936
25,26,27,28-tetrapropoxypentacyclo[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-dodecaen-4-amine
CID 164667012

Frequently Asked Questions

What is the IUPAC name of 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The IUPAC name of 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (CID 10484972) is 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.
What is the SMILES notation for 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The canonical SMILES for 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is CCOCCOc1c2cccc1Cc1cccc(c1OCCOCC)Cc1cccc(c1OCCOCC)Cc1cccc(c1OCCOCC)C2.
What is the InChIKey of 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The InChIKey is XTUVRVOVJJYMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56O8/c1-5-45-21-25-49-41-33-13-9-14-34(41)30-36-16-11-18-38(43(36)51-27-23-47-7-3)32-40-20-12-19-39(44(40)52-28-24-48-8-4)31-37-17-10-15-35(29-33)42(37)50-26-22-46-6-2/h9-20H,5-8,21-32H2,1-4H3.
What are the key properties of 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene has a molecular weight of 712.92 g/mol, XLogP of 8.02, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is sourced from PubChem (CID 10484972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).