25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde

C52H64O8 — CID 11498767

IUPAC25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde
SMILESCCCCCOc1c2cc(C=O)cc1Cc1cc(C=O)cc(c1OCCCCC)Cc1cc(C=O)cc(c1OCCCCC)Cc1cc(C=O)cc(c1OCCCCC)C2
InChIInChI=1S/C52H64O8/c1-5-9-13-17-57-49-41-21-37(33-53)22-42(49)30-44-24-39(35-55)26-46(51(44)59-19-15-11-7-3)32-48-28-40(36-56)27-47(52(48)60-20-16-12-8-4)31-45-25-38(34-54)23-43(29-41)50(45)58-18-14-10-6-2/h21-28,33-36H,5-20,29-32H2,1-4H3
InChIKeyQUXHONDHFSFNQU-UHFFFAOYSA-N
MW817.08 g/mol
LogP11.89
Rot. Bonds24

About 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde

25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde (PubChem CID 11498767) has the molecular formula C52H64O8 and a molecular weight of 817.08 g/mol. Its IUPAC name is 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde.

Molecular Properties

Compound Name25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde
PubChem CID11498767
Molecular FormulaC52H64O8
Molecular Weight817.08 g/mol
Exact Mass816.46
IUPAC Name25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde
SMILESCCCCCOc1c2cc(C=O)cc1Cc1cc(C=O)cc(c1OCCCCC)Cc1cc(C=O)cc(c1OCCCCC)Cc1cc(C=O)cc(c1OCCCCC)C2
InChIInChI=1S/C52H64O8/c1-5-9-13-17-57-49-41-21-37(33-53)22-42(49)30-44-24-39(35-55)26-46(51(44)59-19-15-11-7-3)32-48-28-40(36-56)27-47(52(48)60-20-16-12-8-4)31-45-25-38(34-54)23-43(29-41)50(45)58-18-14-10-6-2/h21-28,33-36H,5-20,29-32H2,1-4H3
InChIKeyQUXHONDHFSFNQU-UHFFFAOYSA-N
XLogP11.89
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.08
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde with MolForge

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Related Compounds

25,26,27,28-tetraoctoxypentacyclo[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-dicarbaldehyde
CID 10396043
3,4,5-trihexoxybenzaldehyde
CID 15316903
23-tert-butyl-26,28-dihydroxy-25,27-dipropoxypentacyclo[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-5,11,17-tricarbaldehyde
CID 102573865
1-(11,17,23,29,35-pentaacetyl-37,38,39,40,41,42-hexahexoxy-5-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl)ethanone
CID 102592322
3,5-didodecoxybenzaldehyde
CID 23127431
3,5-dibromo-4-butoxybenzaldehyde
CID 103601560
4-butoxy-3,5-difluorobenzaldehyde
CID 79018256
25-methoxy-26,27,28-tripentoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-5,11,17,23-tetramine
CID 24814575
5,11,17,23-tetrakis[4-(4-methylphenyl)phenyl]-25,26,27,28-tetra(nonoxy)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
CID 101413618
[11,17,23-tris(carbamoylamino)-25,26,27,28-tetrapentoxy-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]urea
CID 101248169
dimethyl 2-dodecoxy-5-formylbenzene-1,3-dicarboxylate
CID 71407122
4-[10-(4-formyl-2,6-dimethylphenoxy)decoxy]-3,5-dimethylbenzaldehyde
CID 59072946

Frequently Asked Questions

What is the IUPAC name of 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde?
The IUPAC name of 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde (CID 11498767) is 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde.
What is the SMILES notation for 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde?
The canonical SMILES for 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde is CCCCCOc1c2cc(C=O)cc1Cc1cc(C=O)cc(c1OCCCCC)Cc1cc(C=O)cc(c1OCCCCC)Cc1cc(C=O)cc(c1OCCCCC)C2.
What is the InChIKey of 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde?
The InChIKey is QUXHONDHFSFNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H64O8/c1-5-9-13-17-57-49-41-21-37(33-53)22-42(49)30-44-24-39(35-55)26-46(51(44)59-19-15-11-7-3)32-48-28-40(36-56)27-47(52(48)60-20-16-12-8-4)31-45-25-38(34-54)23-43(29-41)50(45)58-18-14-10-6-2/h21-28,33-36H,5-20,29-32H2,1-4H3.
What are the key properties of 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde?
25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde has a molecular weight of 817.08 g/mol, XLogP of 11.89, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26,27,28-tetrapentoxypentacyclo[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-5,11,17,23-tetracarbaldehyde is sourced from PubChem (CID 11498767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).