11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene

C90H126O2 — CID 101495714

IUPAC11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COc1ccc2c(c1)cc(C)c1c2ccc2c1cc(C)c1c2ccc2c3ccc4c5ccc(OCC(CCCCCCCCCC)CCCCCCCCCCCC)cc5cc(C)c4c3cc(C)c21
InChIInChI=1S/C90H126O2/c1-9-13-17-21-25-29-31-35-39-43-47-71(45-41-37-33-27-23-19-15-11-3)65-91-75-49-51-77-73(63-75)59-67(5)87-81(77)55-53-79-83-57-58-84-80-54-56-82-78-52-50-76(64-74(78)60-68(6)88(82)86(80)62-70(8)90(84)89(83)69(7)61-85(79)87)92-66-72(46-42-38-34-28-24-20-16-12-4)48-44-40-36-32-30-26-22-18-14-10-2/h49-64,71-72H,9-48,65-66H2,1-8H3
InChIKeyOCMJNMNREDSMKS-UHFFFAOYSA-N
MW1240.00 g/mol
LogP29.82
Rot. Bonds46

About 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene

11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene (PubChem CID 101495714) has the molecular formula C90H126O2 and a molecular weight of 1240.00 g/mol. Its IUPAC name is 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene.

Molecular Properties

Compound Name11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene
PubChem CID101495714
Molecular FormulaC90H126O2
Molecular Weight1240.00 g/mol
Exact Mass1238.98
IUPAC Name11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COc1ccc2c(c1)cc(C)c1c2ccc2c1cc(C)c1c2ccc2c3ccc4c5ccc(OCC(CCCCCCCCCC)CCCCCCCCCCCC)cc5cc(C)c4c3cc(C)c21
InChIInChI=1S/C90H126O2/c1-9-13-17-21-25-29-31-35-39-43-47-71(45-41-37-33-27-23-19-15-11-3)65-91-75-49-51-77-73(63-75)59-67(5)87-81(77)55-53-79-83-57-58-84-80-54-56-82-78-52-50-76(64-74(78)60-68(6)88(82)86(80)62-70(8)90(84)89(83)69(7)61-85(79)87)92-66-72(46-42-38-34-28-24-20-16-12-4)48-44-40-36-32-30-26-22-18-14-10-2/h49-64,71-72H,9-48,65-66H2,1-8H3
InChIKeyOCMJNMNREDSMKS-UHFFFAOYSA-N
XLogP29.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds46
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001240.00
LogP ≤ 529.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene?
The IUPAC name of 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene (CID 101495714) is 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene.
What is the SMILES notation for 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene?
The canonical SMILES for 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene is CCCCCCCCCCCCC(CCCCCCCCCC)COc1ccc2c(c1)cc(C)c1c2ccc2c1cc(C)c1c2ccc2c3ccc4c5ccc(OCC(CCCCCCCCCC)CCCCCCCCCCCC)cc5cc(C)c4c3cc(C)c21.
What is the InChIKey of 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene?
The InChIKey is OCMJNMNREDSMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H126O2/c1-9-13-17-21-25-29-31-35-39-43-47-71(45-41-37-33-27-23-19-15-11-3)65-91-75-49-51-77-73(63-75)59-67(5)87-81(77)55-53-79-83-57-58-84-80-54-56-82-78-52-50-76(64-74(78)60-68(6)88(82)86(80)62-70(8)90(84)89(83)69(7)61-85(79)87)92-66-72(46-42-38-34-28-24-20-16-12-4)48-44-40-36-32-30-26-22-18-14-10-2/h49-64,71-72H,9-48,65-66H2,1-8H3.
What are the key properties of 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene?
11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene has a molecular weight of 1240.00 g/mol, XLogP of 29.82, 46 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,30-bis(2-decyltetradecoxy)-3,7,34,38-tetramethylnonacyclo[20.16.0.02,19.05,18.06,15.09,14.023,36.026,35.027,32]octatriaconta-1(22),2(19),3,5(18),6(15),7,9(14),10,12,16,20,23(36),24,26(35),27(32),28,30,33,37-nonadecaene is sourced from PubChem (CID 101495714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).