ethane;1-(4-propan-2-ylcyclohexyl)ethanone

C15H32O — CID 144871245

IUPACethane;1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC.CC.CC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C11H20O.2C2H6/c1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-2/h8,10-11H,4-7H2,1-3H3;2*1-2H3
InChIKeyBJWOPOUNVBJCKA-UHFFFAOYSA-N
MW228.42 g/mol
LogP5.09
Rot. Bonds2

About ethane;1-(4-propan-2-ylcyclohexyl)ethanone

ethane;1-(4-propan-2-ylcyclohexyl)ethanone (PubChem CID 144871245) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;1-(4-propan-2-ylcyclohexyl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-propan-2-ylcyclohexyl)ethanone
PubChem CID144871245
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Nameethane;1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC.CC.CC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C11H20O.2C2H6/c1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-2/h8,10-11H,4-7H2,1-3H3;2*1-2H3
InChIKeyBJWOPOUNVBJCKA-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-propan-2-ylcyclohexyl)ethanone?
The IUPAC name of ethane;1-(4-propan-2-ylcyclohexyl)ethanone (CID 144871245) is ethane;1-(4-propan-2-ylcyclohexyl)ethanone.
What is the SMILES notation for ethane;1-(4-propan-2-ylcyclohexyl)ethanone?
The canonical SMILES for ethane;1-(4-propan-2-ylcyclohexyl)ethanone is CC.CC.CC(=O)C1CCC(C(C)C)CC1.
What is the InChIKey of ethane;1-(4-propan-2-ylcyclohexyl)ethanone?
The InChIKey is BJWOPOUNVBJCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.2C2H6/c1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-2/h8,10-11H,4-7H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-(4-propan-2-ylcyclohexyl)ethanone?
ethane;1-(4-propan-2-ylcyclohexyl)ethanone has a molecular weight of 228.42 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-propan-2-ylcyclohexyl)ethanone is sourced from PubChem (CID 144871245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).