tris(cyclohexane);ethane;propane

C29H68 — CID 161084167

IUPACtris(cyclohexane);ethane;propane
SMILESC1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CCC
InChIInChI=1S/3C6H12.C3H8.4C2H6/c3*1-2-4-6-5-3-1;1-3-2;4*1-2/h3*1-6H2;3H2,1-2H3;4*1-2H3
InChIKeyUGHCMYHQTRIADV-UHFFFAOYSA-N
MW416.86 g/mol
LogP12.54
Rot. Bonds

About tris(cyclohexane);ethane;propane

tris(cyclohexane);ethane;propane (PubChem CID 161084167) has the molecular formula C29H68 and a molecular weight of 416.86 g/mol. Its IUPAC name is tris(cyclohexane);ethane;propane.

Molecular Properties

Compound Nametris(cyclohexane);ethane;propane
PubChem CID161084167
Molecular FormulaC29H68
Molecular Weight416.86 g/mol
Exact Mass416.53
IUPAC Nametris(cyclohexane);ethane;propane
SMILESC1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CCC
InChIInChI=1S/3C6H12.C3H8.4C2H6/c3*1-2-4-6-5-3-1;1-3-2;4*1-2/h3*1-6H2;3H2,1-2H3;4*1-2H3
InChIKeyUGHCMYHQTRIADV-UHFFFAOYSA-N
XLogP12.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Stannane, chlorotricyclohexyl-
CID 76539
Arsine, tricyclohexyl-
CID 211567
Bromotricyclohexylstannane
CID 97085
Butyltricyclohexylstannane
CID 81516
Tricyclohexylstannane
CID 25729
Tricyclohexyltin fluoride
CID 5249456
CID 101813525
CID 101813525
Tricyclohexylborane
CID 565757
Stannane, tricyclohexylethyl-
CID 184647
Chlorotricyclohexylplumbane
CID 3491183
Tricyclohexylplumbane
CID 4177825
Iodotricyclohexyllead
CID 4682045

Frequently Asked Questions

What is the IUPAC name of tris(cyclohexane);ethane;propane?
The IUPAC name of tris(cyclohexane);ethane;propane (CID 161084167) is tris(cyclohexane);ethane;propane.
What is the SMILES notation for tris(cyclohexane);ethane;propane?
The canonical SMILES for tris(cyclohexane);ethane;propane is C1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CCC.
What is the InChIKey of tris(cyclohexane);ethane;propane?
The InChIKey is UGHCMYHQTRIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H12.C3H8.4C2H6/c3*1-2-4-6-5-3-1;1-3-2;4*1-2/h3*1-6H2;3H2,1-2H3;4*1-2H3.
What are the key properties of tris(cyclohexane);ethane;propane?
tris(cyclohexane);ethane;propane has a molecular weight of 416.86 g/mol, XLogP of 12.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclohexane);ethane;propane is sourced from PubChem (CID 161084167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).