6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

C24H22O2 — CID 118149873

IUPAC6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESCC(C)c1ccc2oc3cc4c(cc3c2c1)oc1ccc(C(C)C)cc14
InChIInChI=1S/C24H22O2/c1-13(2)15-5-7-21-17(9-15)19-11-24-20(12-23(19)25-21)18-10-16(14(3)4)6-8-22(18)26-24/h5-14H,1-4H3
InChIKeyBUJHYSGQAVZWBL-UHFFFAOYSA-N
MW342.44 g/mol
LogP7.73
Rot. Bonds2

About 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (PubChem CID 118149873) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
PubChem CID118149873
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESCC(C)c1ccc2oc3cc4c(cc3c2c1)oc1ccc(C(C)C)cc14
InChIInChI=1S/C24H22O2/c1-13(2)15-5-7-21-17(9-15)19-11-24-20(12-23(19)25-21)18-10-16(14(3)4)6-8-22(18)26-24/h5-14H,1-4H3
InChIKeyBUJHYSGQAVZWBL-UHFFFAOYSA-N
XLogP7.73
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene with MolForge

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Related Compounds

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5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole
CID 6051545
Corsifuran C
CID 11161125
2,8-Dimethoxydibenzofuran
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2-Acetyldibenzofuran
CID 293028
3-[3-(Carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid
CID 156025991
1-{6-[4-(5-Acetyl-4-methoxy-benzofuran-6-yloxymethyl)-benzyloxy]-4-methoxy-benzofuran-5-yl}-ethanone
CID 10128473
2-(3-Fluoro-4-hydroxy-phenyl)-7-methyl-benzofuran-5-ol
CID 22221630
Diethyl 2,6-dimethylbenzo[1,2-b:4,5-b']difuran-3,7-dicarboxylate
CID 236769
Dibenzofuran, 2-methoxy-
CID 88507

Frequently Asked Questions

What is the IUPAC name of 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The IUPAC name of 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (CID 118149873) is 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is CC(C)c1ccc2oc3cc4c(cc3c2c1)oc1ccc(C(C)C)cc14.
What is the InChIKey of 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The InChIKey is BUJHYSGQAVZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-13(2)15-5-7-21-17(9-15)19-11-24-20(12-23(19)25-21)18-10-16(14(3)4)6-8-22(18)26-24/h5-14H,1-4H3.
What are the key properties of 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene has a molecular weight of 342.44 g/mol, XLogP of 7.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 118149873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).