heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane

C18H24 — CID 59938675

IUPACheptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane
SMILESC1C2CC3C1C1CC(C4CC5C6CC2CC6C54)C31
InChIInChI=1S/C18H24/c1-7-3-11-9(1)13-5-15(17(11)13)16-6-14-10-2-8(7)4-12(10)18(14)16/h7-18H,1-6H2
InChIKeyMVFOXXJLNYBTHW-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.82
Rot. Bonds

About heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane

heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane (PubChem CID 59938675) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane.

Molecular Properties

Compound Nameheptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane
PubChem CID59938675
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Nameheptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane
SMILESC1C2CC3C1C1CC(C4CC5C6CC2CC6C54)C31
InChIInChI=1S/C18H24/c1-7-3-11-9(1)13-5-15(17(11)13)16-6-14-10-2-8(7)4-12(10)18(14)16/h7-18H,1-6H2
InChIKeyMVFOXXJLNYBTHW-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentacyclo[6.4.0.02,7.03,11.05,10]dodecane
CID 90708847
pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane
CID 152828720
pentacyclo[6.4.1.02,6.03,13.05,11]tridecane
CID 163947804
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923
heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane
CID 90855618
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
CID 98083944
3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane
CID 15498999
(1R,3R,6R)-tricyclo[2.2.1.02,6]heptan-3-ol
CID 6979104
(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane
CID 102212512
octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane
CID 54326568

Frequently Asked Questions

What is the IUPAC name of heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane?
The IUPAC name of heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane (CID 59938675) is heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane.
What is the SMILES notation for heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane?
The canonical SMILES for heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane is C1C2CC3C1C1CC(C4CC5C6CC2CC6C54)C31.
What is the InChIKey of heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane?
The InChIKey is MVFOXXJLNYBTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-7-3-11-9(1)13-5-15(17(11)13)16-6-14-10-2-8(7)4-12(10)18(14)16/h7-18H,1-6H2.
What are the key properties of heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane?
heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane has a molecular weight of 240.39 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane is sourced from PubChem (CID 59938675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).