octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane

C18H22 — CID 90831088

IUPACoctacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane
SMILESC1CC2C1C1C2C2C1C1CC23C1C1CC32CCC12
InChIInChI=1S/C18H22/c1-2-8-7(1)12-13(8)16-14(12)10-6-18(16)15(10)9-5-17(18)4-3-11(9)17/h7-16H,1-6H2
InChIKeyJGWWANBLBZWPMR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.57
Rot. Bonds

About octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane

octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane (PubChem CID 90831088) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane.

Molecular Properties

Compound Nameoctacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane
PubChem CID90831088
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Nameoctacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane
SMILESC1CC2C1C1C2C2C1C1CC23C1C1CC32CCC12
InChIInChI=1S/C18H22/c1-2-8-7(1)12-13(8)16-14(12)10-6-18(16)15(10)9-5-17(18)4-3-11(9)17/h7-16H,1-6H2
InChIKeyJGWWANBLBZWPMR-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentacyclo[5.3.1.12,5.01,8.02,6]dodecane
CID 123567750
pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine
CID 174360020
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
(12S)-octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadecane
CID 59762682
(1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
CID 98530685
10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane
CID 163559824
(3R,6R,7S,10S)-tetracyclo[5.3.0.02,6.03,10]decane
CID 124525163
tetracyclo[4.4.0.02,7.03,8]decane
CID 146782655
ethane;hexacyclo[6.6.0.02,7.03,6.09,14.010,13]tetradecane
CID 160503054
(1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]
CID 134980559
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
(8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane
CID 163686569

Frequently Asked Questions

What is the IUPAC name of octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane?
The IUPAC name of octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane (CID 90831088) is octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane.
What is the SMILES notation for octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane?
The canonical SMILES for octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane is C1CC2C1C1C2C2C1C1CC23C1C1CC32CCC12.
What is the InChIKey of octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane?
The InChIKey is JGWWANBLBZWPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-2-8-7(1)12-13(8)16-14(12)10-6-18(16)15(10)9-5-17(18)4-3-11(9)17/h7-16H,1-6H2.
What are the key properties of octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane?
octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane has a molecular weight of 238.37 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[8.6.1.112,16.01,11.02,9.03,8.04,7.013,16]octadecane is sourced from PubChem (CID 90831088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).