6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene

C28H24 — CID 158481234

IUPAC6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
SMILESCc1ccc2c(c1C(C)C)Cc1c-2ccc2ccc3c(c12)Cc1ccccc1-3
InChIInChI=1S/C28H24/c1-16(2)27-17(3)8-11-22-23-13-10-18-9-12-21-20-7-5-4-6-19(20)14-24(21)28(18)26(23)15-25(22)27/h4-13,16H,14-15H2,1-3H3
InChIKeyGHXRMVSNUGBKKT-UHFFFAOYSA-N
MW360.50 g/mol
LogP7.41
Rot. Bonds1

About 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene

6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene (PubChem CID 158481234) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
PubChem CID158481234
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
SMILESCc1ccc2c(c1C(C)C)Cc1c-2ccc2ccc3c(c12)Cc1ccccc1-3
InChIInChI=1S/C28H24/c1-16(2)27-17(3)8-11-22-23-13-10-18-9-12-21-20-7-5-4-6-19(20)14-24(21)28(18)26(23)15-25(22)27/h4-13,16H,14-15H2,1-3H3
InChIKeyGHXRMVSNUGBKKT-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene?
The IUPAC name of 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene (CID 158481234) is 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene?
The canonical SMILES for 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene is Cc1ccc2c(c1C(C)C)Cc1c-2ccc2ccc3c(c12)Cc1ccccc1-3.
What is the InChIKey of 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene?
The InChIKey is GHXRMVSNUGBKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-16(2)27-17(3)8-11-22-23-13-10-18-9-12-21-20-7-5-4-6-19(20)14-24(21)28(18)26(23)15-25(22)27/h4-13,16H,14-15H2,1-3H3.
What are the key properties of 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene?
6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene has a molecular weight of 360.50 g/mol, XLogP of 7.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 158481234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).