23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene

C27H24O — CID 24884894

IUPAC23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene
SMILESCC(C)(C)OC1C2c3cc4ccccc4cc3C1c1cc3ccccc3cc12
InChIInChI=1S/C27H24O/c1-27(2,3)28-26-24-20-12-16-8-4-5-9-17(16)13-21(20)25(26)23-15-19-11-7-6-10-18(19)14-22(23)24/h4-15,24-26H,1-3H3
InChIKeyZORURIPNEIWHAK-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.77
Rot. Bonds1

About 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene

23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene (PubChem CID 24884894) has the molecular formula C27H24O and a molecular weight of 364.49 g/mol. Its IUPAC name is 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene.

Molecular Properties

Compound Name23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene
PubChem CID24884894
Molecular FormulaC27H24O
Molecular Weight364.49 g/mol
Exact Mass364.18
IUPAC Name23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene
SMILESCC(C)(C)OC1C2c3cc4ccccc4cc3C1c1cc3ccccc3cc12
InChIInChI=1S/C27H24O/c1-27(2,3)28-26-24-20-12-16-8-4-5-9-17(16)13-21(20)25(26)23-15-19-11-7-6-10-18(19)14-22(23)24/h4-15,24-26H,1-3H3
InChIKeyZORURIPNEIWHAK-UHFFFAOYSA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene?
The IUPAC name of 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene (CID 24884894) is 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene.
What is the SMILES notation for 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene?
The canonical SMILES for 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene is CC(C)(C)OC1C2c3cc4ccccc4cc3C1c1cc3ccccc3cc12.
What is the InChIKey of 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene?
The InChIKey is ZORURIPNEIWHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O/c1-27(2,3)28-26-24-20-12-16-8-4-5-9-17(16)13-21(20)25(26)23-15-19-11-7-6-10-18(19)14-22(23)24/h4-15,24-26H,1-3H3.
What are the key properties of 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene?
23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene has a molecular weight of 364.49 g/mol, XLogP of 6.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[(2-methylpropan-2-yl)oxy]hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaene is sourced from PubChem (CID 24884894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).