2-butan-2-ylcyclohexan-1-one;ethanol

C12H24O2 — CID 175323159

IUPAC2-butan-2-ylcyclohexan-1-one;ethanol
SMILESCCC(C)C1CCCCC1=O.CCO
InChIInChI=1S/C10H18O.C2H6O/c1-3-8(2)9-6-4-5-7-10(9)11;1-2-3/h8-9H,3-7H2,1-2H3;3H,2H2,1H3
InChIKeyVNZAXSSDDDKOAN-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.79
Rot. Bonds2

About 2-butan-2-ylcyclohexan-1-one;ethanol

2-butan-2-ylcyclohexan-1-one;ethanol (PubChem CID 175323159) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-butan-2-ylcyclohexan-1-one;ethanol.

Molecular Properties

Compound Name2-butan-2-ylcyclohexan-1-one;ethanol
PubChem CID175323159
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-butan-2-ylcyclohexan-1-one;ethanol
SMILESCCC(C)C1CCCCC1=O.CCO
InChIInChI=1S/C10H18O.C2H6O/c1-3-8(2)9-6-4-5-7-10(9)11;1-2-3/h8-9H,3-7H2,1-2H3;3H,2H2,1H3
InChIKeyVNZAXSSDDDKOAN-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylcyclohexan-1-one;ethanol?
The IUPAC name of 2-butan-2-ylcyclohexan-1-one;ethanol (CID 175323159) is 2-butan-2-ylcyclohexan-1-one;ethanol.
What is the SMILES notation for 2-butan-2-ylcyclohexan-1-one;ethanol?
The canonical SMILES for 2-butan-2-ylcyclohexan-1-one;ethanol is CCC(C)C1CCCCC1=O.CCO.
What is the InChIKey of 2-butan-2-ylcyclohexan-1-one;ethanol?
The InChIKey is VNZAXSSDDDKOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C2H6O/c1-3-8(2)9-6-4-5-7-10(9)11;1-2-3/h8-9H,3-7H2,1-2H3;3H,2H2,1H3.
What are the key properties of 2-butan-2-ylcyclohexan-1-one;ethanol?
2-butan-2-ylcyclohexan-1-one;ethanol has a molecular weight of 200.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylcyclohexan-1-one;ethanol is sourced from PubChem (CID 175323159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).