4,5-dimethyltricyclo[6.2.1.13,6]dodecane

C14H24 — CID 59550450

IUPAC4,5-dimethyltricyclo[6.2.1.13,6]dodecane
SMILESCC1C2CC3CCC(C3)CC(C2)C1C
InChIInChI=1S/C14H24/c1-9-10(2)14-7-12-4-3-11(5-12)6-13(9)8-14/h9-14H,3-8H2,1-2H3
InChIKeyLBVMKYMVWQVACI-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.10
Rot. Bonds

About 4,5-dimethyltricyclo[6.2.1.13,6]dodecane

4,5-dimethyltricyclo[6.2.1.13,6]dodecane (PubChem CID 59550450) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4,5-dimethyltricyclo[6.2.1.13,6]dodecane.

Molecular Properties

Compound Name4,5-dimethyltricyclo[6.2.1.13,6]dodecane
PubChem CID59550450
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name4,5-dimethyltricyclo[6.2.1.13,6]dodecane
SMILESCC1C2CC3CCC(C3)CC(C2)C1C
InChIInChI=1S/C14H24/c1-9-10(2)14-7-12-4-3-11(5-12)6-13(9)8-14/h9-14H,3-8H2,1-2H3
InChIKeyLBVMKYMVWQVACI-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;2-methyladamantane
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(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
2-(2-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
CID 132601108
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
12-methyltricyclo[8.4.1.12,5]hexadecane
CID 163863196
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
(3R)-2,3-dimethylbicyclo[3.1.1]heptane
CID 143253423
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CID 123361313

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyltricyclo[6.2.1.13,6]dodecane?
The IUPAC name of 4,5-dimethyltricyclo[6.2.1.13,6]dodecane (CID 59550450) is 4,5-dimethyltricyclo[6.2.1.13,6]dodecane.
What is the SMILES notation for 4,5-dimethyltricyclo[6.2.1.13,6]dodecane?
The canonical SMILES for 4,5-dimethyltricyclo[6.2.1.13,6]dodecane is CC1C2CC3CCC(C3)CC(C2)C1C.
What is the InChIKey of 4,5-dimethyltricyclo[6.2.1.13,6]dodecane?
The InChIKey is LBVMKYMVWQVACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9-10(2)14-7-12-4-3-11(5-12)6-13(9)8-14/h9-14H,3-8H2,1-2H3.
What are the key properties of 4,5-dimethyltricyclo[6.2.1.13,6]dodecane?
4,5-dimethyltricyclo[6.2.1.13,6]dodecane has a molecular weight of 192.35 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyltricyclo[6.2.1.13,6]dodecane is sourced from PubChem (CID 59550450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).