cyclohexane;ethane;bis(propan-2-one)

C14H30O2 — CID 160732509

IUPACcyclohexane;ethane;bis(propan-2-one)
SMILESC1CCCCC1.CC.CC(C)=O.CC(C)=O
InChIInChI=1S/C6H12.2C3H6O.C2H6/c1-2-4-6-5-3-1;2*1-3(2)4;1-2/h1-6H2;2*1-2H3;1-2H3
InChIKeyRUNKQNWNVUDSKV-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.56
Rot. Bonds

About cyclohexane;ethane;bis(propan-2-one)

cyclohexane;ethane;bis(propan-2-one) (PubChem CID 160732509) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is cyclohexane;ethane;bis(propan-2-one).

Molecular Properties

Compound Namecyclohexane;ethane;bis(propan-2-one)
PubChem CID160732509
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Namecyclohexane;ethane;bis(propan-2-one)
SMILESC1CCCCC1.CC.CC(C)=O.CC(C)=O
InChIInChI=1S/C6H12.2C3H6O.C2H6/c1-2-4-6-5-3-1;2*1-3(2)4;1-2/h1-6H2;2*1-2H3;1-2H3
InChIKeyRUNKQNWNVUDSKV-UHFFFAOYSA-N
XLogP4.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19604749
Silane-acetone
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silver bis(propan-2-one)
CID 71340648
cyclopropane;ethane
CID 144519947
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CID 143364855
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CID 158116673
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CID 158590246

Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethane;bis(propan-2-one)?
The IUPAC name of cyclohexane;ethane;bis(propan-2-one) (CID 160732509) is cyclohexane;ethane;bis(propan-2-one).
What is the SMILES notation for cyclohexane;ethane;bis(propan-2-one)?
The canonical SMILES for cyclohexane;ethane;bis(propan-2-one) is C1CCCCC1.CC.CC(C)=O.CC(C)=O.
What is the InChIKey of cyclohexane;ethane;bis(propan-2-one)?
The InChIKey is RUNKQNWNVUDSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C3H6O.C2H6/c1-2-4-6-5-3-1;2*1-3(2)4;1-2/h1-6H2;2*1-2H3;1-2H3.
What are the key properties of cyclohexane;ethane;bis(propan-2-one)?
cyclohexane;ethane;bis(propan-2-one) has a molecular weight of 230.39 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethane;bis(propan-2-one) is sourced from PubChem (CID 160732509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).