25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol

C48H64O8 — CID 2724953

IUPAC25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol
SMILESCCCCCc1c2c(O)cc(O)c1Cc1c(O)cc(O)c(c1CCCCC)Cc1c(O)cc(O)c(c1CCCCC)Cc1c(O)cc(O)c(c1CCCCC)C2
InChIInChI=1S/C48H64O8/c1-5-9-13-17-29-33-21-35-30(18-14-10-6-2)37(45(53)26-43(35)51)23-39-32(20-16-12-8-4)40(48(56)28-47(39)55)24-38-31(19-15-11-7-3)36(44(52)27-46(38)54)22-34(29)42(50)25-41(33)49/h25-28,49-56H,5-24H2,1-4H3
InChIKeyLDNLKGPRNMIUDK-UHFFFAOYSA-N
MW769.03 g/mol
LogP10.94
Rot. Bonds16

About 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol

25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol (PubChem CID 2724953) has the molecular formula C48H64O8 and a molecular weight of 769.03 g/mol. Its IUPAC name is 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol.

Molecular Properties

Compound Name25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol
PubChem CID2724953
Molecular FormulaC48H64O8
Molecular Weight769.03 g/mol
Exact Mass768.46
IUPAC Name25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol
SMILESCCCCCc1c2c(O)cc(O)c1Cc1c(O)cc(O)c(c1CCCCC)Cc1c(O)cc(O)c(c1CCCCC)Cc1c(O)cc(O)c(c1CCCCC)C2
InChIInChI=1S/C48H64O8/c1-5-9-13-17-29-33-21-35-30(18-14-10-6-2)37(45(53)26-43(35)51)23-39-32(20-16-12-8-4)40(48(56)28-47(39)55)24-38-31(19-15-11-7-3)36(44(52)27-46(38)54)22-34(29)42(50)25-41(33)49/h25-28,49-56H,5-24H2,1-4H3
InChIKeyLDNLKGPRNMIUDK-UHFFFAOYSA-N
XLogP10.94
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500769.03
LogP ≤ 510.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol?
The IUPAC name of 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol (CID 2724953) is 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol.
What is the SMILES notation for 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol?
The canonical SMILES for 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol is CCCCCc1c2c(O)cc(O)c1Cc1c(O)cc(O)c(c1CCCCC)Cc1c(O)cc(O)c(c1CCCCC)Cc1c(O)cc(O)c(c1CCCCC)C2.
What is the InChIKey of 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol?
The InChIKey is LDNLKGPRNMIUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64O8/c1-5-9-13-17-29-33-21-35-30(18-14-10-6-2)37(45(53)26-43(35)51)23-39-32(20-16-12-8-4)40(48(56)28-47(39)55)24-38-31(19-15-11-7-3)36(44(52)27-46(38)54)22-34(29)42(50)25-41(33)49/h25-28,49-56H,5-24H2,1-4H3.
What are the key properties of 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol?
25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol has a molecular weight of 769.03 g/mol, XLogP of 10.94, 16 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26,27,28-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol is sourced from PubChem (CID 2724953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).