3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane

C14H24 — CID 123828648

IUPAC3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane
SMILESCC(C)C1C(C)C2C1C(C)C1C(C)C12
InChIInChI=1S/C14H24/c1-6(2)10-7(3)14-12(10)8(4)11-9(5)13(11)14/h6-14H,1-5H3
InChIKeyJOMPEFOHMDRQIE-UHFFFAOYSA-N
MW192.35 g/mol
LogP3.67
Rot. Bonds1

About 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane

3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane (PubChem CID 123828648) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane.

Molecular Properties

Compound Name3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane
PubChem CID123828648
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane
SMILESCC(C)C1C(C)C2C1C(C)C1C(C)C12
InChIInChI=1S/C14H24/c1-6(2)10-7(3)14-12(10)8(4)11-9(5)13(11)14/h6-14H,1-5H3
InChIKeyJOMPEFOHMDRQIE-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-6-propan-2-yltetracyclo[7.2.1.02,8.03,5]dodecan-7-amine
CID 123233215
2-methyl-3-propan-2-ylcyclopropane-1-thiol
CID 123473140
(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane
CID 58453423
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
CID 91229213
1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine
CID 163525148
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
CID 58241652
(2R,3S,5R,6R)-2,3,5,6-tetramethylbicyclo[2.2.0]hexane
CID 123730639
4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane
CID 123145651
2,4,6,8,9,10-hexamethyladamantane
CID 58325503
3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
CID 123742163
2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
CID 123787796

Frequently Asked Questions

What is the IUPAC name of 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane?
The IUPAC name of 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane (CID 123828648) is 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane.
What is the SMILES notation for 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane?
The canonical SMILES for 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane is CC(C)C1C(C)C2C1C(C)C1C(C)C12.
What is the InChIKey of 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane?
The InChIKey is JOMPEFOHMDRQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-6(2)10-7(3)14-12(10)8(4)11-9(5)13(11)14/h6-14H,1-5H3.
What are the key properties of 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane?
3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane has a molecular weight of 192.35 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trimethyl-7-propan-2-yltricyclo[4.2.0.02,4]octane is sourced from PubChem (CID 123828648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).