ethane;propane;1,1,3-trimethylcyclobutane

C12H28 — CID 166460974

IUPACethane;propane;1,1,3-trimethylcyclobutane
SMILESCC.CC1CC(C)(C)C1.CCC
InChIInChI=1S/C7H14.C3H8.C2H6/c1-6-4-7(2,3)5-6;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyVHOQQOXJHIELIZ-UHFFFAOYSA-N
MW172.36 g/mol
LogP4.89
Rot. Bonds

About ethane;propane;1,1,3-trimethylcyclobutane

ethane;propane;1,1,3-trimethylcyclobutane (PubChem CID 166460974) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is ethane;propane;1,1,3-trimethylcyclobutane.

Molecular Properties

Compound Nameethane;propane;1,1,3-trimethylcyclobutane
PubChem CID166460974
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Nameethane;propane;1,1,3-trimethylcyclobutane
SMILESCC.CC1CC(C)(C)C1.CCC
InChIInChI=1S/C7H14.C3H8.C2H6/c1-6-4-7(2,3)5-6;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyVHOQQOXJHIELIZ-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,4-Trimethylpentane
CID 10907
2,2,4,4-Tetramethylpentane
CID 14058
2,2,5-Trimethylhexane
CID 19041
1,1-Dimethylcyclobutane
CID 638049
1,1,3,3-Tetramethylcyclobutane
CID 3340552
2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9
CID 16212984
1,1,2,3,3-Pentamethylcyclobutane
CID 550813
1,1,3-Trimethylcyclobutane
CID 12656861
Diethyl cyclobutane
CID 9875384
1,1,2,3-Tetramethylcyclobutane
CID 13635312
t-Butylcyclo-butane
CID 18618975
1,1,2,2,3-Pentamethylcyclobutane
CID 20669383

Frequently Asked Questions

What is the IUPAC name of ethane;propane;1,1,3-trimethylcyclobutane?
The IUPAC name of ethane;propane;1,1,3-trimethylcyclobutane (CID 166460974) is ethane;propane;1,1,3-trimethylcyclobutane.
What is the SMILES notation for ethane;propane;1,1,3-trimethylcyclobutane?
The canonical SMILES for ethane;propane;1,1,3-trimethylcyclobutane is CC.CC1CC(C)(C)C1.CCC.
What is the InChIKey of ethane;propane;1,1,3-trimethylcyclobutane?
The InChIKey is VHOQQOXJHIELIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C3H8.C2H6/c1-6-4-7(2,3)5-6;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;1,1,3-trimethylcyclobutane?
ethane;propane;1,1,3-trimethylcyclobutane has a molecular weight of 172.36 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;1,1,3-trimethylcyclobutane is sourced from PubChem (CID 166460974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).