6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

C28H24O2 — CID 70938401

IUPAC6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESCCCc1ccc2c(c1)oc1c2ccc2c1ccc1c3ccc(CCC)cc3oc12
InChIInChI=1S/C28H24O2/c1-3-5-17-7-9-19-21-11-13-24-23(27(21)29-25(19)15-17)14-12-22-20-10-8-18(6-4-2)16-26(20)30-28(22)24/h7-16H,3-6H2,1-2H3
InChIKeyRZMZERNPYRSYQQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP8.54
Rot. Bonds4

About 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (PubChem CID 70938401) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

Compound Name6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
PubChem CID70938401
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESCCCc1ccc2c(c1)oc1c2ccc2c1ccc1c3ccc(CCC)cc3oc12
InChIInChI=1S/C28H24O2/c1-3-5-17-7-9-19-21-11-13-24-23(27(21)29-25(19)15-17)14-12-22-20-10-8-18(6-4-2)16-26(20)30-28(22)24/h7-16H,3-6H2,1-2H3
InChIKeyRZMZERNPYRSYQQ-UHFFFAOYSA-N
XLogP8.54
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-propylphenyl)dibenzofuran
CID 156827246
6,17-bis(4-octylphenyl)-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 118285670
3-ethyldibenzofuran
CID 58510747
8,23-didecyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 132595717
5,7-dipropylchromen-2-one
CID 174532195
3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 172802278
6,18-dipropyl-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 132605895
2,6-dipropylchromen-4-one
CID 58402381
3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 166930342
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
2-[(E)-1-bromo-2-chloroethenyl]-3-ethynyl-6-propyl-1-benzofuran
CID 156510196
2-iodo-5-propyl-1-benzofuran
CID 86051258

Frequently Asked Questions

What is the IUPAC name of 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The IUPAC name of 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (CID 70938401) is 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.
What is the SMILES notation for 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The canonical SMILES for 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is CCCc1ccc2c(c1)oc1c2ccc2c1ccc1c3ccc(CCC)cc3oc12.
What is the InChIKey of 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The InChIKey is RZMZERNPYRSYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c1-3-5-17-7-9-19-21-11-13-24-23(27(21)29-25(19)15-17)14-12-22-20-10-8-18(6-4-2)16-26(20)30-28(22)24/h7-16H,3-6H2,1-2H3.
What are the key properties of 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 392.50 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 70938401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).