2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane

C12H20 — CID 123956231

IUPAC2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane
SMILESCC1CC23CC1(C)C(C)(C2)C3C
InChIInChI=1S/C12H20/c1-8-5-12-6-10(8,3)11(4,7-12)9(12)2/h8-9H,5-7H2,1-4H3
InChIKeyAYXIKAAWJCTGCW-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds

About 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane

2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane (PubChem CID 123956231) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane.

Molecular Properties

Compound Name2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane
PubChem CID123956231
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane
SMILESCC1CC23CC1(C)C(C)(C2)C3C
InChIInChI=1S/C12H20/c1-8-5-12-6-10(8,3)11(4,7-12)9(12)2/h8-9H,5-7H2,1-4H3
InChIKeyAYXIKAAWJCTGCW-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-1,1,2-trimethylcyclopropane
CID 25022262
3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane
CID 123897411
1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
CID 91324406
1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane
CID 123829130
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
CID 162401464
CID 162401464
(2S)-2-methylspiro[2.2]pentane
CID 153461113
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
2,5-dimethylspiro[2.2]pentan-2-amine
CID 70451349
ethane;1,1,2,3,3-pentamethylcyclobutane
CID 177318359
1b,5,5,6a,7,7a-hexamethyl-1a,2,3,4,6,7-hexahydro-1H-cyclopropa[a]azulene
CID 163790924
4-ethyl-1,6,7,9,9-pentamethyl-2-oxa-3λ6-thiabicyclo[4.2.1]nonane 3,3-dioxide
CID 138519929

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane?
The IUPAC name of 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane (CID 123956231) is 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane.
What is the SMILES notation for 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane?
The canonical SMILES for 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane is CC1CC23CC1(C)C(C)(C2)C3C.
What is the InChIKey of 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane?
The InChIKey is AYXIKAAWJCTGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-8-5-12-6-10(8,3)11(4,7-12)9(12)2/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane?
2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane is sourced from PubChem (CID 123956231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).