11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene

C22H18O2 — CID 144608353

IUPAC11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
SMILESCCc1cc2c3ccc(C)cc3oc2c2oc3cc(C)ccc3c12
InChIInChI=1S/C22H18O2/c1-4-14-11-17-15-7-5-12(2)9-18(15)23-21(17)22-20(14)16-8-6-13(3)10-19(16)24-22/h5-11H,4H2,1-3H3
InChIKeyILXBCVYEGYLRPQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP6.66
Rot. Bonds1

About 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene

11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene (PubChem CID 144608353) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
PubChem CID144608353
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
SMILESCCc1cc2c3ccc(C)cc3oc2c2oc3cc(C)ccc3c12
InChIInChI=1S/C22H18O2/c1-4-14-11-17-15-7-5-12(2)9-18(15)23-21(17)22-20(14)16-8-6-13(3)10-19(16)24-22/h5-11H,4H2,1-3H3
InChIKeyILXBCVYEGYLRPQ-UHFFFAOYSA-N
XLogP6.66
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene?
The IUPAC name of 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene (CID 144608353) is 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene is CCc1cc2c3ccc(C)cc3oc2c2oc3cc(C)ccc3c12.
What is the InChIKey of 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene?
The InChIKey is ILXBCVYEGYLRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-4-14-11-17-15-7-5-12(2)9-18(15)23-21(17)22-20(14)16-8-6-13(3)10-19(16)24-22/h5-11H,4H2,1-3H3.
What are the key properties of 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene?
11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene has a molecular weight of 314.38 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-6,17-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 144608353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).