1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane

C15H30 — CID 123245860

IUPAC1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane
SMILESCC1C(C)C(C(C)(C)CC(C)(C)C)C1C
InChIInChI=1S/C15H30/c1-10-11(2)13(12(10)3)15(7,8)9-14(4,5)6/h10-13H,9H2,1-8H3
InChIKeyAOIYTOVEZYLOQL-UHFFFAOYSA-N
MW210.40 g/mol
LogP4.99
Rot. Bonds2

About 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane

1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane (PubChem CID 123245860) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane.

Molecular Properties

Compound Name1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane
PubChem CID123245860
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane
SMILESCC1C(C)C(C(C)(C)CC(C)(C)C)C1C
InChIInChI=1S/C15H30/c1-10-11(2)13(12(10)3)15(7,8)9-14(4,5)6/h10-13H,9H2,1-8H3
InChIKeyAOIYTOVEZYLOQL-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane
CID 58219597
2,4,4-trimethylpentan-2-ylcyclopentane
CID 90828490
4-methyl-2-(2,4,4-trimethylpentan-2-yl)azepane
CID 143027382
1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 100992125
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
lithium 2,4,4-trimethylpentane-2-thiolate
CID 20660691
2,2,4,4,6,6-hexamethylheptane
CID 2795065
1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
CID 142995371
4-[4-(3,5-dimethyl-2,6-dioxooxan-4-yl)-2,4-dimethylpentan-2-yl]-3,5-dimethyloxane-2,6-dione
CID 163609287
ethane;3-methyl-5-(2,4,4-trimethylpentan-2-yl)azepane
CID 143027362
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
2,4,4-trimethylpentan-2-ylazanium
CID 5178672

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane?
The IUPAC name of 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane (CID 123245860) is 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane.
What is the SMILES notation for 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane?
The canonical SMILES for 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane is CC1C(C)C(C(C)(C)CC(C)(C)C)C1C.
What is the InChIKey of 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane?
The InChIKey is AOIYTOVEZYLOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-10-11(2)13(12(10)3)15(7,8)9-14(4,5)6/h10-13H,9H2,1-8H3.
What are the key properties of 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane?
1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane has a molecular weight of 210.40 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-(2,4,4-trimethylpentan-2-yl)cyclobutane is sourced from PubChem (CID 123245860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).