26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol

C34H32O4 — CID 5249197

IUPAC26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol
SMILESC=CCOc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1OCC=C)Cc1cccc(c1O)C2
InChIInChI=1S/C34H32O4/c1-3-17-37-33-27-13-7-14-28(33)20-24-10-6-12-26(32(24)36)22-30-16-8-15-29(34(30)38-18-4-2)21-25-11-5-9-23(19-27)31(25)35/h3-16,35-36H,1-2,17-22H2
InChIKeyYLUSRUHXFCPIOP-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.90
Rot. Bonds6

About 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol

26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol (PubChem CID 5249197) has the molecular formula C34H32O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol.

Molecular Properties

Compound Name26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol
PubChem CID5249197
Molecular FormulaC34H32O4
Molecular Weight504.63 g/mol
Exact Mass504.23
IUPAC Name26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol
SMILESC=CCOc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1OCC=C)Cc1cccc(c1O)C2
InChIInChI=1S/C34H32O4/c1-3-17-37-33-27-13-7-14-28(33)20-24-10-6-12-26(32(24)36)22-30-16-8-15-29(34(30)38-18-4-2)21-25-11-5-9-23(19-27)31(25)35/h3-16,35-36H,1-2,17-22H2
InChIKeyYLUSRUHXFCPIOP-UHFFFAOYSA-N
XLogP6.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol?
The IUPAC name of 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol (CID 5249197) is 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol.
What is the SMILES notation for 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol?
The canonical SMILES for 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol is C=CCOc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1OCC=C)Cc1cccc(c1O)C2.
What is the InChIKey of 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol?
The InChIKey is YLUSRUHXFCPIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O4/c1-3-17-37-33-27-13-7-14-28(33)20-24-10-6-12-26(32(24)36)22-30-16-8-15-29(34(30)38-18-4-2)21-25-11-5-9-23(19-27)31(25)35/h3-16,35-36H,1-2,17-22H2.
What are the key properties of 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol?
26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol has a molecular weight of 504.63 g/mol, XLogP of 6.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 26,28-bis(prop-2-enoxy)pentacyclo[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-25,27-diol is sourced from PubChem (CID 5249197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).