3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane

C14H26 — CID 90804834

IUPAC3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane
SMILESCC.CC1CC2C3CCC(C3)C2C1C
InChIInChI=1S/C12H20.C2H6/c1-7-5-11-9-3-4-10(6-9)12(11)8(7)2;1-2/h7-12H,3-6H2,1-2H3;1-2H3
InChIKeyCFVHMEYKSIEXNM-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.35
Rot. Bonds

About 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane

3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane (PubChem CID 90804834) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane.

Molecular Properties

Compound Name3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane
PubChem CID90804834
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane
SMILESCC.CC1CC2C3CCC(C3)C2C1C
InChIInChI=1S/C12H20.C2H6/c1-7-5-11-9-3-4-10(6-9)12(11)8(7)2;1-2/h7-12H,3-6H2,1-2H3;1-2H3
InChIKeyCFVHMEYKSIEXNM-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-dimethyltricyclo[5.2.1.02,6]decane;methyl propanoate
CID 91003781
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
2-(2-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
CID 132601108
3,4,10-trimethyltricyclo[5.2.1.02,6]decane
CID 20593718
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
7-methyltricyclo[4.3.1.03,10]decane
CID 147439470
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)
CID 157279018
(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
(1R,3R,5R,8R)-3-methyl-4-oxatricyclo[6.2.1.02,7]undecan-5-ol
CID 22726578

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane?
The IUPAC name of 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane (CID 90804834) is 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane.
What is the SMILES notation for 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane?
The canonical SMILES for 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane is CC.CC1CC2C3CCC(C3)C2C1C.
What is the InChIKey of 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane?
The InChIKey is CFVHMEYKSIEXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C2H6/c1-7-5-11-9-3-4-10(6-9)12(11)8(7)2;1-2/h7-12H,3-6H2,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane?
3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane has a molecular weight of 194.36 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane is sourced from PubChem (CID 90804834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).