14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol

C28H24O2 — CID 24860515

IUPAC14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol
SMILESOc1cc2ccc1-c1ccccc1CCc1ccc(cc1)Oc1cccc(c1)CC2
InChIInChI=1S/C28H24O2/c29-28-19-22-9-8-21-4-3-6-25(18-21)30-24-15-11-20(12-16-24)10-14-23-5-1-2-7-26(23)27(28)17-13-22/h1-7,11-13,15-19,29H,8-10,14H2
InChIKeyAWANYYTXBZWDHH-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.74
Rot. Bonds

About 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol

14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol (PubChem CID 24860515) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol.

Molecular Properties

Compound Name14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol
PubChem CID24860515
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol
SMILESOc1cc2ccc1-c1ccccc1CCc1ccc(cc1)Oc1cccc(c1)CC2
InChIInChI=1S/C28H24O2/c29-28-19-22-9-8-21-4-3-6-25(18-21)30-24-15-11-20(12-16-24)10-14-23-5-1-2-7-26(23)27(28)17-13-22/h1-7,11-13,15-19,29H,8-10,14H2
InChIKeyAWANYYTXBZWDHH-UHFFFAOYSA-N
XLogP6.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol?
The IUPAC name of 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol (CID 24860515) is 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol.
What is the SMILES notation for 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol?
The canonical SMILES for 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol is Oc1cc2ccc1-c1ccccc1CCc1ccc(cc1)Oc1cccc(c1)CC2.
What is the InChIKey of 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol?
The InChIKey is AWANYYTXBZWDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c29-28-19-22-9-8-21-4-3-6-25(18-21)30-24-15-11-20(12-16-24)10-14-23-5-1-2-7-26(23)27(28)17-13-22/h1-7,11-13,15-19,29H,8-10,14H2.
What are the key properties of 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol?
14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol has a molecular weight of 392.50 g/mol, XLogP of 6.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaen-24-ol is sourced from PubChem (CID 24860515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).