nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane

C30H44 — CID 91087023

IUPACnonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane
SMILESC1CC2C(C1)C1CCC3CCC4C5CCCC5C5CCC6CCC2C2C6C5C4C3C12
InChIInChI=1S/C30H44/c1-3-17-18(4-1)22-12-8-16-10-14-24-20-6-2-5-19(20)23-13-9-15-7-11-21(17)27-25(15)29(23)30(24)26(16)28(22)27/h15-30H,1-14H2
InChIKeyLRLZOULGJHMZNC-UHFFFAOYSA-N
MW404.68 g/mol
LogP7.43
Rot. Bonds

About nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane

nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane (PubChem CID 91087023) has the molecular formula C30H44 and a molecular weight of 404.68 g/mol. Its IUPAC name is nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane.

Molecular Properties

Compound Namenonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane
PubChem CID91087023
Molecular FormulaC30H44
Molecular Weight404.68 g/mol
Exact Mass404.34
IUPAC Namenonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane
SMILESC1CC2C(C1)C1CCC3CCC4C5CCCC5C5CCC6CCC2C2C6C5C4C3C12
InChIInChI=1S/C30H44/c1-3-17-18(4-1)22-12-8-16-10-14-24-20-6-2-5-19(20)23-13-9-15-7-11-21(17)27-25(15)29(23)30(24)26(16)28(22)27/h15-30H,1-14H2
InChIKeyLRLZOULGJHMZNC-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane with MolForge

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Related Compounds

hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
CID 140677748
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
(7S,8S)-tetracyclo[5.4.0.02,6.08,11]undecane
CID 163896911
heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane
CID 91488372
tricosacyclo[27.9.7.79,25.710,20.46,42.228,44.05,39.033,45.035,43.037,41.146,48.014,65.016,63.018,61.024,59.040,50.047,52.049,56.051,58.053,60.054,66.055,62.057,64]hexahexacontane
CID 139213160
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
tetracyclo[6.5.2.04,15.011,14]pentadecane
CID 91584207
(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
CID 143216402
(1S,2R,3R,6R,7R)-tricyclo[5.3.0.02,6]decan-3-ol
CID 39353118
heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane
CID 20663352
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325

Frequently Asked Questions

What is the IUPAC name of nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane?
The IUPAC name of nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane (CID 91087023) is nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane.
What is the SMILES notation for nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane?
The canonical SMILES for nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane is C1CC2C(C1)C1CCC3CCC4C5CCCC5C5CCC6CCC2C2C6C5C4C3C12.
What is the InChIKey of nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane?
The InChIKey is LRLZOULGJHMZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44/c1-3-17-18(4-1)22-12-8-16-10-14-24-20-6-2-5-19(20)23-13-9-15-7-11-21(17)27-25(15)29(23)30(24)26(16)28(22)27/h15-30H,1-14H2.
What are the key properties of nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane?
nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane has a molecular weight of 404.68 g/mol, XLogP of 7.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane is sourced from PubChem (CID 91087023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).