5-cyclohexyl-4-methoxypentan-2-one;methane

C14H30O2 — CID 158323784

IUPAC5-cyclohexyl-4-methoxypentan-2-one;methane
SMILESC.C.COC(CC(C)=O)CC1CCCCC1
InChIInChI=1S/C12H22O2.2CH4/c1-10(13)8-12(14-2)9-11-6-4-3-5-7-11;;/h11-12H,3-9H2,1-2H3;2*1H4
InChIKeyGPDUYHIDISTELM-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.22
Rot. Bonds5

About 5-cyclohexyl-4-methoxypentan-2-one;methane

5-cyclohexyl-4-methoxypentan-2-one;methane (PubChem CID 158323784) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 5-cyclohexyl-4-methoxypentan-2-one;methane.

Molecular Properties

Compound Name5-cyclohexyl-4-methoxypentan-2-one;methane
PubChem CID158323784
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name5-cyclohexyl-4-methoxypentan-2-one;methane
SMILESC.C.COC(CC(C)=O)CC1CCCCC1
InChIInChI=1S/C12H22O2.2CH4/c1-10(13)8-12(14-2)9-11-6-4-3-5-7-11;;/h11-12H,3-9H2,1-2H3;2*1H4
InChIKeyGPDUYHIDISTELM-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-cyclopentyl-2-methoxy-N-methylpropan-1-amine
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[1-cyclohexyl-4-[1-(4-ethenylphenyl)-5-oxohexan-3-yl]oxy-4-oxobutan-2-yl] 3-methoxypentanoate
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dimethyl 2-(cyclohexylmethyl)propanedioate
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CID 105430802
4-cyclohexyl-4-fluorobutan-2-one
CID 105435232
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
(4S,6S)-4-(cyclohexylmethyl)-6-hydroxy-8-methylnonan-2-one
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3-amino-4-cyclohexylbutan-2-one
CID 20668322
methyl N-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]carbamate
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(4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one
CID 11095930
3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
CID 116709029

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-methoxypentan-2-one;methane?
The IUPAC name of 5-cyclohexyl-4-methoxypentan-2-one;methane (CID 158323784) is 5-cyclohexyl-4-methoxypentan-2-one;methane.
What is the SMILES notation for 5-cyclohexyl-4-methoxypentan-2-one;methane?
The canonical SMILES for 5-cyclohexyl-4-methoxypentan-2-one;methane is C.C.COC(CC(C)=O)CC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-methoxypentan-2-one;methane?
The InChIKey is GPDUYHIDISTELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.2CH4/c1-10(13)8-12(14-2)9-11-6-4-3-5-7-11;;/h11-12H,3-9H2,1-2H3;2*1H4.
What are the key properties of 5-cyclohexyl-4-methoxypentan-2-one;methane?
5-cyclohexyl-4-methoxypentan-2-one;methane has a molecular weight of 230.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-methoxypentan-2-one;methane is sourced from PubChem (CID 158323784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).