2-butyl-3-methoxycyclohex-2-en-1-one

C11H18O2 — CID 587831

IUPAC2-butyl-3-methoxycyclohex-2-en-1-one
SMILESCCCCC1=C(OC)CCCC1=O
InChIInChI=1S/C11H18O2/c1-3-4-6-9-10(12)7-5-8-11(9)13-2/h3-8H2,1-2H3
InChIKeyHOUXMRNKVDKHGX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds4

About 2-butyl-3-methoxycyclohex-2-en-1-one

2-butyl-3-methoxycyclohex-2-en-1-one (PubChem CID 587831) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-butyl-3-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-butyl-3-methoxycyclohex-2-en-1-one
PubChem CID587831
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-butyl-3-methoxycyclohex-2-en-1-one
SMILESCCCCC1=C(OC)CCCC1=O
InChIInChI=1S/C11H18O2/c1-3-4-6-9-10(12)7-5-8-11(9)13-2/h3-8H2,1-2H3
InChIKeyHOUXMRNKVDKHGX-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methoxycyclohex-2-en-1-one?
The IUPAC name of 2-butyl-3-methoxycyclohex-2-en-1-one (CID 587831) is 2-butyl-3-methoxycyclohex-2-en-1-one.
What is the SMILES notation for 2-butyl-3-methoxycyclohex-2-en-1-one?
The canonical SMILES for 2-butyl-3-methoxycyclohex-2-en-1-one is CCCCC1=C(OC)CCCC1=O.
What is the InChIKey of 2-butyl-3-methoxycyclohex-2-en-1-one?
The InChIKey is HOUXMRNKVDKHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-6-9-10(12)7-5-8-11(9)13-2/h3-8H2,1-2H3.
What are the key properties of 2-butyl-3-methoxycyclohex-2-en-1-one?
2-butyl-3-methoxycyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 587831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).