1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane

C15H26 — CID 123152967

IUPAC1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane
SMILESCC1CC2C3CCC3(C(C)(C)C(C)C)C12
InChIInChI=1S/C15H26/c1-9(2)14(4,5)15-7-6-12(15)11-8-10(3)13(11)15/h9-13H,6-8H2,1-5H3
InChIKeyLFZSKLNZDNOPMH-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.35
Rot. Bonds2

About 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane

1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane (PubChem CID 123152967) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane
PubChem CID123152967
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane
SMILESCC1CC2C3CCC3(C(C)(C)C(C)C)C12
InChIInChI=1S/C15H26/c1-9(2)14(4,5)15-7-6-12(15)11-8-10(3)13(11)15/h9-13H,6-8H2,1-5H3
InChIKeyLFZSKLNZDNOPMH-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyltricyclo[4.2.0.02,5]octane-1-thiol
CID 167291455
2-(2,3-dimethylbutan-2-yl)-4-methylbicyclo[3.2.0]heptane
CID 123217578
(2S,3S,5R,6S,10S,13R,17R)-2,3,6,10,13-pentamethyl-17-[(E,2R)-5,6,6,7-tetramethyloct-4-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 58590874
2,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 130705967
2-methyl-5-propan-2-ylbicyclo[2.1.0]pentane
CID 91265668
1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
CID 123954813
2-butan-2-yl-5-(2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonan-2-yl)-2,3,4,4,5,8-hexamethyltricyclo[4.3.1.03,9]decane
CID 91499123
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene
CID 165359394
4-methyltetracyclo[3.3.0.01,6.02,7]octane
CID 123988822
4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
CID 142139515
1-(2,3-dimethylbutan-2-yl)-1,2,2,3,4-pentamethylcyclobutane
CID 91502764

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane (CID 123152967) is 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane is CC1CC2C3CCC3(C(C)(C)C(C)C)C12.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane?
The InChIKey is LFZSKLNZDNOPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-9(2)14(4,5)15-7-6-12(15)11-8-10(3)13(11)15/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane?
1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane has a molecular weight of 206.37 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 1-(2,3-dimethylbutan-2-yl)-3-methyltricyclo[4.2.0.02,5]octane is sourced from PubChem (CID 123152967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).