8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene

C18H14O2 — CID 15499093

IUPAC8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene
SMILESc1ccc2c(c1)CC1OC2Cc2c1ccc1ccoc21
InChIInChI=1S/C18H14O2/c1-2-4-13-12(3-1)9-16-14-6-5-11-7-8-19-18(11)15(14)10-17(13)20-16/h1-8,16-17H,9-10H2
InChIKeyBDLZEBASBZSMJU-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.34
Rot. Bonds

About 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene

8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene (PubChem CID 15499093) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene.

Molecular Properties

Compound Name8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene
PubChem CID15499093
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene
SMILESc1ccc2c(c1)CC1OC2Cc2c1ccc1ccoc21
InChIInChI=1S/C18H14O2/c1-2-4-13-12(3-1)9-16-14-6-5-11-7-8-19-18(11)15(14)10-17(13)20-16/h1-8,16-17H,9-10H2
InChIKeyBDLZEBASBZSMJU-UHFFFAOYSA-N
XLogP4.34
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139054065
(1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol
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CID 10968849
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(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
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Frequently Asked Questions

What is the IUPAC name of 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene?
The IUPAC name of 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene (CID 15499093) is 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene.
What is the SMILES notation for 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene?
The canonical SMILES for 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene is c1ccc2c(c1)CC1OC2Cc2c1ccc1ccoc21.
What is the InChIKey of 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene?
The InChIKey is BDLZEBASBZSMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-2-4-13-12(3-1)9-16-14-6-5-11-7-8-19-18(11)15(14)10-17(13)20-16/h1-8,16-17H,9-10H2.
What are the key properties of 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene?
8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene has a molecular weight of 262.31 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,20-dioxapentacyclo[10.7.1.02,10.05,9.013,18]icosa-2(10),3,5(9),6,13,15,17-heptaene is sourced from PubChem (CID 15499093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).