2-cyclohexyl-5-methoxypent-1-en-3-one

C12H20O2 — CID 122518622

IUPAC2-cyclohexyl-5-methoxypent-1-en-3-one
SMILESC=C(C(=O)CCOC)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-10(12(13)8-9-14-2)11-6-4-3-5-7-11/h11H,1,3-9H2,2H3
InChIKeyLIFNIEADSUTTOW-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.73
Rot. Bonds5

About 2-cyclohexyl-5-methoxypent-1-en-3-one

2-cyclohexyl-5-methoxypent-1-en-3-one (PubChem CID 122518622) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclohexyl-5-methoxypent-1-en-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methoxypent-1-en-3-one
PubChem CID122518622
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclohexyl-5-methoxypent-1-en-3-one
SMILESC=C(C(=O)CCOC)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-10(12(13)8-9-14-2)11-6-4-3-5-7-11/h11H,1,3-9H2,2H3
InChIKeyLIFNIEADSUTTOW-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methoxypent-1-en-3-one?
The IUPAC name of 2-cyclohexyl-5-methoxypent-1-en-3-one (CID 122518622) is 2-cyclohexyl-5-methoxypent-1-en-3-one.
What is the SMILES notation for 2-cyclohexyl-5-methoxypent-1-en-3-one?
The canonical SMILES for 2-cyclohexyl-5-methoxypent-1-en-3-one is C=C(C(=O)CCOC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-methoxypent-1-en-3-one?
The InChIKey is LIFNIEADSUTTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(12(13)8-9-14-2)11-6-4-3-5-7-11/h11H,1,3-9H2,2H3.
What are the key properties of 2-cyclohexyl-5-methoxypent-1-en-3-one?
2-cyclohexyl-5-methoxypent-1-en-3-one has a molecular weight of 196.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methoxypent-1-en-3-one is sourced from PubChem (CID 122518622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).