nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane

C12H8 — CID 58958838

IUPACnonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane
SMILESC12C3C4C5C1C16C2C32C3C1C56C432
InChIInChI=1S/C12H8/c1-2-4-5-3(1)10-6(1)9(2)7-8(10)12(5,10)11(4,7)9/h1-8H
InChIKeyVQBOTOPRSDJPRZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.98
Rot. Bonds

About nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane

nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane (PubChem CID 58958838) has the molecular formula C12H8 and a molecular weight of 152.20 g/mol. Its IUPAC name is nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane.

Molecular Properties

Compound Namenonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane
PubChem CID58958838
Molecular FormulaC12H8
Molecular Weight152.20 g/mol
Exact Mass152.06
IUPAC Namenonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane
SMILESC12C3C4C5C1C16C2C32C3C1C56C432
InChIInChI=1S/C12H8/c1-2-4-5-3(1)10-6(1)9(2)7-8(10)12(5,10)11(4,7)9/h1-8H
InChIKeyVQBOTOPRSDJPRZ-UHFFFAOYSA-N
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

nonacyclo[6.4.0.01,6.02,5.02,11.03,8.03,10.04,7.09,12]dodecane
CID 101267008
CID 140616646
CID 140616646
heptadecacyclo[16.14.1.02,17.03,16.04,15.05,14.06,13.07,12.08,11.019,22.020,32.020,33.021,24.021,31.023,26.024,30.025,29]tritriacontane
CID 59762676
CID 59762681
CID 59762681
CID 140616644
CID 140616644
(1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol
CID 98557506
hentetracontacyclo[22.3.3.24,29.25,6.27,8.29,10.211,14.217,18.219,20.221,22.115,16.123,30.03,28.012,15.026,30.027,29.336,38.132,48.135,47.139,41.013,42.028,33.031,32.031,34.033,48.034,49.035,36.037,38.037,53.039,40.040,41.042,43.043,51.044,45.044,52.045,53.046,47.046,54.049,50.050,54.051,52]tetrapentacontane
CID 174150957
CID 162058034
CID 162058034
(22S,23S,24S,25S,26S,27S,28S,29S,30R,32R,33R,34R,35R,36R,37R)-tetratriacontacyclo[35.1.1.14,36.15,35.16,34.17,33.18,32.19,31.110,30.111,29.112,28.113,27.114,26.115,25.116,24.117,23.118,20.03,39.022,54.039,40.040,41.041,42.042,43.043,44.044,45.045,46.046,47.047,48.048,49.049,50.050,51.051,52.052,53.053,54]tetrapentacontane
CID 59330514
cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane
CID 158465043
CID 59721921
CID 59721921
(3-nitrooxycuban-1-yl) nitrate
CID 177468659

Frequently Asked Questions

What is the IUPAC name of nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane?
The IUPAC name of nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane (CID 58958838) is nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane.
What is the SMILES notation for nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane?
The canonical SMILES for nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane is C12C3C4C5C1C16C2C32C3C1C56C432.
What is the InChIKey of nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane?
The InChIKey is VQBOTOPRSDJPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8/c1-2-4-5-3(1)10-6(1)9(2)7-8(10)12(5,10)11(4,7)9/h1-8H.
What are the key properties of nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane?
nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane has a molecular weight of 152.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[5.5.0.01,11.02,4.02,6.03,12.04,10.05,9.08,11]dodecane is sourced from PubChem (CID 58958838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).