4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane

C18H22 — CID 144514053

IUPAC4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
SMILESCC1C2C3C4CC5CC6C7C8C(C)C1(C)C28C37C546
InChIInChI=1S/C18H22/c1-6-11-13-9-4-8-5-10-14-12-7(2)15(6,3)17(11,12)18(13,14)16(8,9)10/h6-14H,4-5H2,1-3H3
InChIKeyAHDQITFSHUJDGH-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.43
Rot. Bonds

About 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane

4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane (PubChem CID 144514053) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane.

Molecular Properties

Compound Name4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
PubChem CID144514053
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
SMILESCC1C2C3C4CC5CC6C7C8C(C)C1(C)C28C37C546
InChIInChI=1S/C18H22/c1-6-11-13-9-4-8-5-10-14-12-7(2)15(6,3)17(11,12)18(13,14)16(8,9)10/h6-14H,4-5H2,1-3H3
InChIKeyAHDQITFSHUJDGH-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane with MolForge

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Related Compounds

(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
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765
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
10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane
CID 143326459
(8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane
CID 174300171
1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane
CID 123216634
3,4,25,26-tetraiodohexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane
CID 129027654
N-chloromethanamine;methanethiol;octacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
CID 142048716
25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane
CID 140676171
pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane
CID 174075049
8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane
CID 123730283
7,8,9,10-tetramethyldodecacyclo[10.8.0.01,4.02,9.02,11.03,6.03,8.04,19.05,18.013,20.015,20.016,19]icosane
CID 20740891

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane?
The IUPAC name of 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane (CID 144514053) is 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane.
What is the SMILES notation for 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane?
The canonical SMILES for 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane is CC1C2C3C4CC5CC6C7C8C(C)C1(C)C28C37C546.
What is the InChIKey of 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane?
The InChIKey is AHDQITFSHUJDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-6-11-13-9-4-8-5-10-14-12-7(2)15(6,3)17(11,12)18(13,14)16(8,9)10/h6-14H,4-5H2,1-3H3.
What are the key properties of 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane?
4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane has a molecular weight of 238.37 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane is sourced from PubChem (CID 144514053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).