pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane

C19H30 — CID 59725363

IUPACpentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
SMILESC1CC2CCC3CCC4CCCC5CC(C1)C2C3C45
InChIInChI=1S/C19H30/c1-3-12-7-9-14-10-8-13-4-2-6-16-11-15(5-1)17(12)19(14)18(13)16/h12-19H,1-11H2
InChIKeyFKXJUBSKFAGQOV-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.28
Rot. Bonds

About pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane

pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane (PubChem CID 59725363) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane.

Molecular Properties

Compound Namepentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
PubChem CID59725363
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Namepentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
SMILESC1CC2CCC3CCC4CCCC5CC(C1)C2C3C45
InChIInChI=1S/C19H30/c1-3-12-7-9-14-10-8-13-4-2-6-16-11-15(5-1)17(12)19(14)18(13)16/h12-19H,1-11H2
InChIKeyFKXJUBSKFAGQOV-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308
tetracyclo[10.2.1.05,14.08,13]pentadecane
CID 13164121
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105
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
(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
CID 58820692
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
tricyclo[4.3.1.12,5]undecane
CID 13070377
2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
CID 164666249
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
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031

Frequently Asked Questions

What is the IUPAC name of pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane?
The IUPAC name of pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane (CID 59725363) is pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane.
What is the SMILES notation for pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane?
The canonical SMILES for pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane is C1CC2CCC3CCC4CCCC5CC(C1)C2C3C45.
What is the InChIKey of pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane?
The InChIKey is FKXJUBSKFAGQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-3-12-7-9-14-10-8-13-4-2-6-16-11-15(5-1)17(12)19(14)18(13)16/h12-19H,1-11H2.
What are the key properties of pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane?
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane has a molecular weight of 258.45 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane is sourced from PubChem (CID 59725363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).