1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane

C13H26 — CID 123267529

IUPAC1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane
SMILESCC(C)C1C(C)C(C)C1(C)C(C)C
InChIInChI=1S/C13H26/c1-8(2)12-10(5)11(6)13(12,7)9(3)4/h8-12H,1-7H3
InChIKeyRQZLHCMPKKJBBQ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.21
Rot. Bonds2

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

1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane (PubChem CID 123267529) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane.

Molecular Properties

Compound Name1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane
PubChem CID123267529
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane
SMILESCC(C)C1C(C)C(C)C1(C)C(C)C
InChIInChI=1S/C13H26/c1-8(2)12-10(5)11(6)13(12,7)9(3)4/h8-12H,1-7H3
InChIKeyRQZLHCMPKKJBBQ-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetramethyl-1-propan-2-ylcyclobutane
CID 91260634
1,1,2,3-tetra(propan-2-yl)cyclopropane
CID 140890940
1,2-dimethyl-3-propan-2-yl-1-propylcyclopropane
CID 90948897
1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane
CID 123188364
1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane
CID 91370264
(1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane
CID 162490749
1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane
CID 90870051
1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane
CID 123162603
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
1-(1-cyclobutylethyl)-1-ethyl-2,3-dimethyl-4-propan-2-ylcyclobutane
CID 143367935
1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 134299206
1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane?
The IUPAC name of 1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane (CID 123267529) is 1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane.
What is the SMILES notation for 1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane?
The canonical SMILES for 1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane is CC(C)C1C(C)C(C)C1(C)C(C)C.
What is the InChIKey of 1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane?
The InChIKey is RQZLHCMPKKJBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-8(2)12-10(5)11(6)13(12,7)9(3)4/h8-12H,1-7H3.
What are the key properties of 1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane?
1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.21, 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-1,4-di(propan-2-yl)cyclobutane is sourced from PubChem (CID 123267529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).