3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene

C50H60O10 — CID 102460530

IUPAC3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene
SMILESCCOc1cc2c(OCC)cc1-c1cc(OCC)c(cc1OCC)-c1cc(OCC)c(cc1OCC)-c1cc(OCC)c(cc1OCC)-c1cc(OCC)c-2cc1OCC
InChIInChI=1S/C50H60O10/c1-11-51-41-21-32-34-24-46(56-16-6)36(26-45(34)55-15-5)38-28-50(60-20-10)40(30-49(38)59-19-9)39-29-47(57-17-7)37(27-48(39)58-18-8)35-25-43(53-13-3)33(23-44(35)54-14-4)31(41)22-42(32)52-12-2/h21-30H,11-20H2,1-10H3/b33-31-,34-32-,37-35+,38-36+,40-39+
InChIKeyTUQKHBTVBMMSLG-HXDFPSFXSA-N
MW821.02 g/mol
LogP12.32
Rot. Bonds20

About 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene

3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene (PubChem CID 102460530) has the molecular formula C50H60O10 and a molecular weight of 821.02 g/mol. Its IUPAC name is 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene.

Molecular Properties

Compound Name3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene
PubChem CID102460530
Molecular FormulaC50H60O10
Molecular Weight821.02 g/mol
Exact Mass820.42
IUPAC Name3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene
SMILESCCOc1cc2c(OCC)cc1-c1cc(OCC)c(cc1OCC)-c1cc(OCC)c(cc1OCC)-c1cc(OCC)c(cc1OCC)-c1cc(OCC)c-2cc1OCC
InChIInChI=1S/C50H60O10/c1-11-51-41-21-32-34-24-46(56-16-6)36(26-45(34)55-15-5)38-28-50(60-20-10)40(30-49(38)59-19-9)39-29-47(57-17-7)37(27-48(39)58-18-8)35-25-43(53-13-3)33(23-44(35)54-14-4)31(41)22-42(32)52-12-2/h21-30H,11-20H2,1-10H3/b33-31-,34-32-,37-35+,38-36+,40-39+
InChIKeyTUQKHBTVBMMSLG-HXDFPSFXSA-N
XLogP12.32
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.02
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene with MolForge

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Related Compounds

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CID 22590203
2,4-diethoxy-1-phenylbenzene
CID 132889855
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
3,4,5-triethoxyphenol
CID 19754898
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CID 139125685
1-bromo-4,5-diethoxy-2-iodobenzene
CID 81479058
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2-ethoxy-4,5-dimethylphenol
CID 82053903

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene?
The IUPAC name of 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene (CID 102460530) is 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene.
What is the SMILES notation for 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene?
The canonical SMILES for 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene is CCOc1cc2c(OCC)cc1-c1cc(OCC)c(cc1OCC)-c1cc(OCC)c(cc1OCC)-c1cc(OCC)c(cc1OCC)-c1cc(OCC)c-2cc1OCC.
What is the InChIKey of 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene?
The InChIKey is TUQKHBTVBMMSLG-HXDFPSFXSA-N. The full InChI is InChI=1S/C50H60O10/c1-11-51-41-21-32-34-24-46(56-16-6)36(26-45(34)55-15-5)38-28-50(60-20-10)40(30-49(38)59-19-9)39-29-47(57-17-7)37(27-48(39)58-18-8)35-25-43(53-13-3)33(23-44(35)54-14-4)31(41)22-42(32)52-12-2/h21-30H,11-20H2,1-10H3/b33-31-,34-32-,37-35+,38-36+,40-39+.
What are the key properties of 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene?
3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene has a molecular weight of 821.02 g/mol, XLogP of 12.32, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene is sourced from PubChem (CID 102460530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).