11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene

C30H36 — CID 89312302

IUPAC11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene
SMILESCC1=C2CCC3=C(C)c4c(C(C)C)cccc4C3CCC2c2cccc(C(C)C)c21
InChIInChI=1S/C30H36/c1-17(2)21-9-7-11-27-25-15-16-26-24(14-13-23(25)19(5)29(21)27)20(6)30-22(18(3)4)10-8-12-28(26)30/h7-12,17-18,25-26H,13-16H2,1-6H3
InChIKeyFFYUPEAQFCRQPV-UHFFFAOYSA-N
MW396.62 g/mol
LogP8.95
Rot. Bonds2

About 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene

11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene (PubChem CID 89312302) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene.

Molecular Properties

Compound Name11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene
PubChem CID89312302
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Name11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene
SMILESCC1=C2CCC3=C(C)c4c(C(C)C)cccc4C3CCC2c2cccc(C(C)C)c21
InChIInChI=1S/C30H36/c1-17(2)21-9-7-11-27-25-15-16-26-24(14-13-23(25)19(5)29(21)27)20(6)30-22(18(3)4)10-8-12-28(26)30/h7-12,17-18,25-26H,13-16H2,1-6H3
InChIKeyFFYUPEAQFCRQPV-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene?
The IUPAC name of 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene (CID 89312302) is 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene.
What is the SMILES notation for 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene?
The canonical SMILES for 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene is CC1=C2CCC3=C(C)c4c(C(C)C)cccc4C3CCC2c2cccc(C(C)C)c21.
What is the InChIKey of 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene?
The InChIKey is FFYUPEAQFCRQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36/c1-17(2)21-9-7-11-27-25-15-16-26-24(14-13-23(25)19(5)29(21)27)20(6)30-22(18(3)4)10-8-12-28(26)30/h7-12,17-18,25-26H,13-16H2,1-6H3.
What are the key properties of 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene?
11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene has a molecular weight of 396.62 g/mol, XLogP of 8.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene is sourced from PubChem (CID 89312302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).