3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane

C16H28 — CID 123629229

IUPAC3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
SMILESCC1CC2CC(C)C3C(C)CC(CC1C)C23
InChIInChI=1S/C16H28/c1-9-5-13-7-11(3)15-12(4)8-14(16(13)15)6-10(9)2/h9-16H,5-8H2,1-4H3
InChIKeyRMMYIXMGZFSTKI-UHFFFAOYSA-N
MW220.40 g/mol
LogP4.60
Rot. Bonds

About 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane

3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane (PubChem CID 123629229) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane.

Molecular Properties

Compound Name3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
PubChem CID123629229
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
SMILESCC1CC2CC(C)C3C(C)CC(CC1C)C23
InChIInChI=1S/C16H28/c1-9-5-13-7-11(3)15-12(4)8-14(16(13)15)6-10(9)2/h9-16H,5-8H2,1-4H3
InChIKeyRMMYIXMGZFSTKI-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane
CID 163855339
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992
1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123875044
(16S,21R,23R,25S,28S,30R,32S,34R,37R,39S,41R,46S)-nonadecacyclo[41.11.1.17,19.110,52.116,28.125,37.134,46.03,53.05,9.08,12.014,18.017,21.023,27.026,30.032,36.035,39.041,45.044,48.050,54]hexacontane
CID 134943434
(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane
CID 90872999
3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane
CID 123688869
(2,4-dimethylcyclobutyl)cyclopentane
CID 76591276

Frequently Asked Questions

What is the IUPAC name of 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane?
The IUPAC name of 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane (CID 123629229) is 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane.
What is the SMILES notation for 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane?
The canonical SMILES for 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane is CC1CC2CC(C)C3C(C)CC(CC1C)C23.
What is the InChIKey of 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane?
The InChIKey is RMMYIXMGZFSTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-9-5-13-7-11(3)15-12(4)8-14(16(13)15)6-10(9)2/h9-16H,5-8H2,1-4H3.
What are the key properties of 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane?
3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane has a molecular weight of 220.40 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane is sourced from PubChem (CID 123629229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).