3-propan-2-yltricyclo[3.1.1.12,4]octane

C11H18 — CID 176821598

IUPAC3-propan-2-yltricyclo[3.1.1.12,4]octane
SMILESCC(C)C1C2CC1C1CC2C1
InChIInChI=1S/C11H18/c1-6(2)11-9-5-10(11)8-3-7(9)4-8/h6-11H,3-5H2,1-2H3
InChIKeyGUXAMMVICNWJGO-UHFFFAOYSA-N
MW150.26 g/mol
LogP2.93
Rot. Bonds1

About 3-propan-2-yltricyclo[3.1.1.12,4]octane

3-propan-2-yltricyclo[3.1.1.12,4]octane (PubChem CID 176821598) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3-propan-2-yltricyclo[3.1.1.12,4]octane.

Molecular Properties

Compound Name3-propan-2-yltricyclo[3.1.1.12,4]octane
PubChem CID176821598
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3-propan-2-yltricyclo[3.1.1.12,4]octane
SMILESCC(C)C1C2CC1C1CC2C1
InChIInChI=1S/C11H18/c1-6(2)11-9-5-10(11)8-3-7(9)4-8/h6-11H,3-5H2,1-2H3
InChIKeyGUXAMMVICNWJGO-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
(1R,2S,3S,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 167142264
4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
CID 91310355
2-propan-2-yl-4-azatricyclo[4.2.1.03,7]nonane
CID 130642314
(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 134443469
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
2-methyl-5-propan-2-ylbicyclo[2.1.0]pentane
CID 91265668
1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
CID 123954813
pentacyclo[8.4.0.03,7.04,13.06,11]tetradecane
CID 604684
1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 101318409
(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
CID 168806834
4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol
CID 20697986

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yltricyclo[3.1.1.12,4]octane?
The IUPAC name of 3-propan-2-yltricyclo[3.1.1.12,4]octane (CID 176821598) is 3-propan-2-yltricyclo[3.1.1.12,4]octane.
What is the SMILES notation for 3-propan-2-yltricyclo[3.1.1.12,4]octane?
The canonical SMILES for 3-propan-2-yltricyclo[3.1.1.12,4]octane is CC(C)C1C2CC1C1CC2C1.
What is the InChIKey of 3-propan-2-yltricyclo[3.1.1.12,4]octane?
The InChIKey is GUXAMMVICNWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-6(2)11-9-5-10(11)8-3-7(9)4-8/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yltricyclo[3.1.1.12,4]octane?
3-propan-2-yltricyclo[3.1.1.12,4]octane has a molecular weight of 150.26 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yltricyclo[3.1.1.12,4]octane is sourced from PubChem (CID 176821598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).