butane;butylcyclohexane;pentan-2-one

C19H40O — CID 142809149

IUPACbutane;butylcyclohexane;pentan-2-one
SMILESCCCC.CCCC(C)=O.CCCCC1CCCCC1
InChIInChI=1S/C10H20.C5H10O.C4H10/c1-2-3-7-10-8-5-4-6-9-10;1-3-4-5(2)6;1-3-4-2/h10H,2-9H2,1H3;3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyNWLYLLPHADFBFC-UHFFFAOYSA-N
MW284.53 g/mol
LogP6.94
Rot. Bonds6

About butane;butylcyclohexane;pentan-2-one

butane;butylcyclohexane;pentan-2-one (PubChem CID 142809149) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is butane;butylcyclohexane;pentan-2-one.

Molecular Properties

Compound Namebutane;butylcyclohexane;pentan-2-one
PubChem CID142809149
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Namebutane;butylcyclohexane;pentan-2-one
SMILESCCCC.CCCC(C)=O.CCCCC1CCCCC1
InChIInChI=1S/C10H20.C5H10O.C4H10/c1-2-3-7-10-8-5-4-6-9-10;1-3-4-5(2)6;1-3-4-2/h10H,2-9H2,1H3;3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyNWLYLLPHADFBFC-UHFFFAOYSA-N
XLogP6.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-cyclopentylpentan-2-one
CID 18433881
heptylcyclohexane;propan-2-one
CID 143570854
8-cyclohexyloctan-4-one
CID 143863986
carbonyl dichloride;pentylcyclohexane
CID 19977556
CID 171376493
CID 171376493
butylcyclohexane;N-methylmethanamine
CID 174941558
1-butyl-4-propylcyclononane
CID 123467552
CID 174809311
CID 174809311
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-cyclohexylhexan-3-one
CID 10856142
1-cyclopentylhenicosan-4-one
CID 521722
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501

Frequently Asked Questions

What is the IUPAC name of butane;butylcyclohexane;pentan-2-one?
The IUPAC name of butane;butylcyclohexane;pentan-2-one (CID 142809149) is butane;butylcyclohexane;pentan-2-one.
What is the SMILES notation for butane;butylcyclohexane;pentan-2-one?
The canonical SMILES for butane;butylcyclohexane;pentan-2-one is CCCC.CCCC(C)=O.CCCCC1CCCCC1.
What is the InChIKey of butane;butylcyclohexane;pentan-2-one?
The InChIKey is NWLYLLPHADFBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C5H10O.C4H10/c1-2-3-7-10-8-5-4-6-9-10;1-3-4-5(2)6;1-3-4-2/h10H,2-9H2,1H3;3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;butylcyclohexane;pentan-2-one?
butane;butylcyclohexane;pentan-2-one has a molecular weight of 284.53 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;butylcyclohexane;pentan-2-one is sourced from PubChem (CID 142809149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).