4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane

C20H32 — CID 90872999

IUPAC4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane
SMILESCC1CC2CC3CCC4CCCC(C5CC(C)C1C25)C43
InChIInChI=1S/C20H32/c1-11-8-15-10-14-7-6-13-4-3-5-16(19(13)14)17-9-12(2)18(11)20(15)17/h11-20H,3-10H2,1-2H3
InChIKeyCSEQJKFGPINKCW-UHFFFAOYSA-N
MW272.48 g/mol
LogP5.38
Rot. Bonds

About 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane

4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane (PubChem CID 90872999) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane.

Molecular Properties

Compound Name4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane
PubChem CID90872999
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane
SMILESCC1CC2CC3CCC4CCCC(C5CC(C)C1C25)C43
InChIInChI=1S/C20H32/c1-11-8-15-10-14-7-6-13-4-3-5-16(19(13)14)17-9-12(2)18(11)20(15)17/h11-20H,3-10H2,1-2H3
InChIKeyCSEQJKFGPINKCW-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
tricosacyclo[27.9.7.79,25.710,20.46,42.228,44.05,39.033,45.035,43.037,41.146,48.014,65.016,63.018,61.024,59.040,50.047,52.049,56.051,58.053,60.054,66.055,62.057,64]hexahexacontane
CID 139213160
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 91597819
1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58897796
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
tetracyclo[10.2.1.05,14.08,13]pentadecane
CID 13164121
tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
CID 158145834
6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
CID 91007754
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane?
The IUPAC name of 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane (CID 90872999) is 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane.
What is the SMILES notation for 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane?
The canonical SMILES for 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane is CC1CC2CC3CCC4CCCC(C5CC(C)C1C25)C43.
What is the InChIKey of 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane?
The InChIKey is CSEQJKFGPINKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-11-8-15-10-14-7-6-13-4-3-5-16(19(13)14)17-9-12(2)18(11)20(15)17/h11-20H,3-10H2,1-2H3.
What are the key properties of 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane?
4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane has a molecular weight of 272.48 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane is sourced from PubChem (CID 90872999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).