2,5-di(propan-2-yl)bicyclo[2.2.2]octane

C14H26 — CID 140828495

IUPAC2,5-di(propan-2-yl)bicyclo[2.2.2]octane
SMILESCC(C)C1CC2CCC1CC2C(C)C
InChIInChI=1S/C14H26/c1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4/h9-14H,5-8H2,1-4H3
InChIKeyNZAVSBHPAIGDHU-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.35
Rot. Bonds2

About 2,5-di(propan-2-yl)bicyclo[2.2.2]octane

2,5-di(propan-2-yl)bicyclo[2.2.2]octane (PubChem CID 140828495) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)bicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)bicyclo[2.2.2]octane
PubChem CID140828495
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2,5-di(propan-2-yl)bicyclo[2.2.2]octane
SMILESCC(C)C1CC2CCC1CC2C(C)C
InChIInChI=1S/C14H26/c1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4/h9-14H,5-8H2,1-4H3
InChIKeyNZAVSBHPAIGDHU-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
(1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 176801726
1-propan-2-yladamantane;2-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[3.2.1]octane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 167643637
4-propan-2-ylbicyclo[4.1.0]heptan-3-amine
CID 174265608
10-methyl-12-propan-2-yltricyclo[7.3.1.03,7]tridecane
CID 158433586
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142876945
(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol
CID 170528391
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
cis-(1S,2S)-1-chloro-2-propan-2-ylcyclopropane
CID 59618047
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)bicyclo[2.2.2]octane?
The IUPAC name of 2,5-di(propan-2-yl)bicyclo[2.2.2]octane (CID 140828495) is 2,5-di(propan-2-yl)bicyclo[2.2.2]octane.
What is the SMILES notation for 2,5-di(propan-2-yl)bicyclo[2.2.2]octane?
The canonical SMILES for 2,5-di(propan-2-yl)bicyclo[2.2.2]octane is CC(C)C1CC2CCC1CC2C(C)C.
What is the InChIKey of 2,5-di(propan-2-yl)bicyclo[2.2.2]octane?
The InChIKey is NZAVSBHPAIGDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4/h9-14H,5-8H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)bicyclo[2.2.2]octane?
2,5-di(propan-2-yl)bicyclo[2.2.2]octane has a molecular weight of 194.36 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)bicyclo[2.2.2]octane is sourced from PubChem (CID 140828495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).