cycloheptane;ethane;propane

C12H28 — CID 142095328

IUPACcycloheptane;ethane;propane
SMILESC1CCCCCC1.CC.CCC
InChIInChI=1S/C7H14.C3H8.C2H6/c1-2-4-6-7-5-3-1;1-3-2;1-2/h1-7H2;3H2,1-2H3;1-2H3
InChIKeyCKVZGQCWLDTPIP-UHFFFAOYSA-N
MW172.36 g/mol
LogP5.17
Rot. Bonds

About cycloheptane;ethane;propane

cycloheptane;ethane;propane (PubChem CID 142095328) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is cycloheptane;ethane;propane.

Molecular Properties

Compound Namecycloheptane;ethane;propane
PubChem CID142095328
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Namecycloheptane;ethane;propane
SMILESC1CCCCCC1.CC.CCC
InChIInChI=1S/C7H14.C3H8.C2H6/c1-2-4-6-7-5-3-1;1-3-2;1-2/h1-7H2;3H2,1-2H3;1-2H3
InChIKeyCKVZGQCWLDTPIP-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.36
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclobutane;ethane;propane
CID 142065255
bis(cyclohexane);ethane;propane
CID 91197261
bis(cyclohexane);ethane;propane
CID 160925836
tris(cyclohexane);ethane;propane
CID 161084167
cyclohexane;ethane;methane;propane
CID 161168070
butane;cyclobutane;ethane;propane
CID 144515884
cyclopropane;methane;propane
CID 162181556
cyclopropane;ethene;propane
CID 145063751
butane;cyclopropane;ethane
CID 143412650
cyclobutane;ethane;hexane;propane
CID 142383161
benzene;tris(cyclohexane);ethane;methane;propane
CID 160511909
cyclopropane;ethane
CID 143364855

Frequently Asked Questions

What is the IUPAC name of cycloheptane;ethane;propane?
The IUPAC name of cycloheptane;ethane;propane (CID 142095328) is cycloheptane;ethane;propane.
What is the SMILES notation for cycloheptane;ethane;propane?
The canonical SMILES for cycloheptane;ethane;propane is C1CCCCCC1.CC.CCC.
What is the InChIKey of cycloheptane;ethane;propane?
The InChIKey is CKVZGQCWLDTPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C3H8.C2H6/c1-2-4-6-7-5-3-1;1-3-2;1-2/h1-7H2;3H2,1-2H3;1-2H3.
What are the key properties of cycloheptane;ethane;propane?
cycloheptane;ethane;propane has a molecular weight of 172.36 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptane;ethane;propane is sourced from PubChem (CID 142095328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).