6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene

C26H22O2 — CID 23254389

IUPAC6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
SMILESCC(C)c1cc2ccc3oc4cc(C(C)C)cc5ccc6oc(c1)c2c3-c6c54
InChIInChI=1S/C26H22O2/c1-13(2)17-9-15-5-7-20-25-23(15)21(11-17)27-19-8-6-16-10-18(14(3)4)12-22(28-20)24(16)26(19)25/h5-14H,1-4H3
InChIKeyNCCBIDSAEMWRSL-UHFFFAOYSA-N
MW366.46 g/mol
LogP8.27
Rot. Bonds2

About 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene

6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene (PubChem CID 23254389) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene.

Molecular Properties

Compound Name6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
PubChem CID23254389
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
SMILESCC(C)c1cc2ccc3oc4cc(C(C)C)cc5ccc6oc(c1)c2c3-c6c54
InChIInChI=1S/C26H22O2/c1-13(2)17-9-15-5-7-20-25-23(15)21(11-17)27-19-8-6-16-10-18(14(3)4)12-22(28-20)24(16)26(19)25/h5-14H,1-4H3
InChIKeyNCCBIDSAEMWRSL-UHFFFAOYSA-N
XLogP8.27
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
The IUPAC name of 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene (CID 23254389) is 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene.
What is the SMILES notation for 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
The canonical SMILES for 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene is CC(C)c1cc2ccc3oc4cc(C(C)C)cc5ccc6oc(c1)c2c3-c6c54.
What is the InChIKey of 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
The InChIKey is NCCBIDSAEMWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2/c1-13(2)17-9-15-5-7-20-25-23(15)21(11-17)27-19-8-6-16-10-18(14(3)4)12-22(28-20)24(16)26(19)25/h5-14H,1-4H3.
What are the key properties of 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene has a molecular weight of 366.46 g/mol, XLogP of 8.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-di(propan-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene is sourced from PubChem (CID 23254389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).