2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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

C36H40O4 — CID 23252394

IUPAC2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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)cc(c2O)Cc2cc(C)cc(c2O)C(CC)c2cc(C)cc(c2O)Cc2cc(C)cc1c2O
InChIInChI=1S/C36H40O4/c1-7-27-29-13-19(3)9-23(33(29)37)17-25-11-21(5)15-31(35(25)39)28(8-2)32-16-22(6)12-26(36(32)40)18-24-10-20(4)14-30(27)34(24)38/h9-16,27-28,37-40H,7-8,17-18H2,1-6H3
InChIKeyAAIRFPYFZHESBZ-UHFFFAOYSA-N
MW536.71 g/mol
LogP8.32
Rot. Bonds2

About 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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

2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 23252394) has the molecular formula C36H40O4 and a molecular weight of 536.71 g/mol. Its IUPAC name is 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 Name2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 CID23252394
Molecular FormulaC36H40O4
Molecular Weight536.71 g/mol
Exact Mass536.29
IUPAC Name2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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)cc(c2O)Cc2cc(C)cc(c2O)C(CC)c2cc(C)cc(c2O)Cc2cc(C)cc1c2O
InChIInChI=1S/C36H40O4/c1-7-27-29-13-19(3)9-23(33(29)37)17-25-11-21(5)15-31(35(25)39)28(8-2)32-16-22(6)12-26(36(32)40)18-24-10-20(4)14-30(27)34(24)38/h9-16,27-28,37-40H,7-8,17-18H2,1-6H3
InChIKeyAAIRFPYFZHESBZ-UHFFFAOYSA-N
XLogP8.32
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.71
LogP ≤ 58.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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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Related Compounds

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
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
35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
CID 10510259
5,11,17,23-tetramethyl-2,14-bis(4-nitrophenyl)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 14938121
5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-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)hexyl]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-25,26,27,28-tetrol
CID 132525736
5,11-dibenzyl-17,23,29-trimethylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 100998882
5,11,17,23-tetramethyl-29-(2-phenylethynyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 86039461
3,9,15,21,26,26-hexamethyl-25,27-dioxa-26-silahexacyclo[21.5.1.17,11.113,17.05,28.019,24]hentriaconta-1,3,5(28),7,9,11(31),13(30),14,16,19(24),20,22-dodecaene-30,31-diol
CID 101333427
ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane
CID 145053963
5,11,17,23-tetratert-butyl-2,14-diethoxypentacyclo[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
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2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
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(4S,9S,19S,24S,34S,39S)-14,29,44-trimethyl-3,10,18,25,33,40-hexazaheptacyclo[40.3.1.112,16.127,31.04,9.019,24.034,39]octatetraconta-1(45),12,14,16(48),27(47),28,30,42(46),43-nonaene-46,47,48-triol
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Frequently Asked Questions

What is the IUPAC name of 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 23252394) is 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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)cc(c2O)Cc2cc(C)cc(c2O)C(CC)c2cc(C)cc(c2O)Cc2cc(C)cc1c2O.
What is the InChIKey of 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 AAIRFPYFZHESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40O4/c1-7-27-29-13-19(3)9-23(33(29)37)17-25-11-21(5)15-31(35(25)39)28(8-2)32-16-22(6)12-26(36(32)40)18-24-10-20(4)14-30(27)34(24)38/h9-16,27-28,37-40H,7-8,17-18H2,1-6H3.
What are the key properties of 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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?
2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 536.71 g/mol, XLogP of 8.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-diethyl-5,11,17,23-tetramethylpentacyclo[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 23252394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).