7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane

C22H36 — CID 90974743

IUPAC7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane
SMILESCCC1C2C3CC4C5CC3C(C(CC(C)(C)CC)C41C)C52C
InChIInChI=1S/C22H36/c1-7-14-18-12-9-15-16-10-13(12)19(22(16,18)6)17(21(14,15)5)11-20(3,4)8-2/h12-19H,7-11H2,1-6H3
InChIKeyWLHCLXZHOUYBOG-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.01
Rot. Bonds4

About 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane

7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane (PubChem CID 90974743) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane.

Molecular Properties

Compound Name7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane
PubChem CID90974743
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane
SMILESCCC1C2C3CC4C5CC3C(C(CC(C)(C)CC)C41C)C52C
InChIInChI=1S/C22H36/c1-7-14-18-12-9-15-16-10-13(12)19(22(16,18)6)17(21(14,15)5)11-20(3,4)8-2/h12-19H,7-11H2,1-6H3
InChIKeyWLHCLXZHOUYBOG-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane with MolForge

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Related Compounds

2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol
CID 90739279
2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane
CID 123152522
5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane
CID 123695523
1-(2,2-dimethylbutyl)-3-ethylcyclopentane
CID 91360585
2,3-bis(2,2-dimethylbutyl)-2-methyloxirane
CID 90226520
1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
CID 89112098
1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane
CID 123179974
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane
CID 20743981
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane
CID 173215387
N-(2,2-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104588064

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane?
The IUPAC name of 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane (CID 90974743) is 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane.
What is the SMILES notation for 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane?
The canonical SMILES for 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane is CCC1C2C3CC4C5CC3C(C(CC(C)(C)CC)C41C)C52C.
What is the InChIKey of 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane?
The InChIKey is WLHCLXZHOUYBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-7-14-18-12-9-15-16-10-13(12)19(22(16,18)6)17(21(14,15)5)11-20(3,4)8-2/h12-19H,7-11H2,1-6H3.
What are the key properties of 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane?
7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane has a molecular weight of 300.53 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane is sourced from PubChem (CID 90974743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).