4-butan-2-yloxycyclohex-2-en-1-one

C10H16O2 — CID 15275787

IUPAC4-butan-2-yloxycyclohex-2-en-1-one
SMILESCCC(C)OC1C=CC(=O)CC1
InChIInChI=1S/C10H16O2/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyUQDUEZOCVWEIIK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds3

About 4-butan-2-yloxycyclohex-2-en-1-one

4-butan-2-yloxycyclohex-2-en-1-one (PubChem CID 15275787) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-butan-2-yloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4-butan-2-yloxycyclohex-2-en-1-one
PubChem CID15275787
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-butan-2-yloxycyclohex-2-en-1-one
SMILESCCC(C)OC1C=CC(=O)CC1
InChIInChI=1S/C10H16O2/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyUQDUEZOCVWEIIK-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxycyclohex-2-en-1-one?
The IUPAC name of 4-butan-2-yloxycyclohex-2-en-1-one (CID 15275787) is 4-butan-2-yloxycyclohex-2-en-1-one.
What is the SMILES notation for 4-butan-2-yloxycyclohex-2-en-1-one?
The canonical SMILES for 4-butan-2-yloxycyclohex-2-en-1-one is CCC(C)OC1C=CC(=O)CC1.
What is the InChIKey of 4-butan-2-yloxycyclohex-2-en-1-one?
The InChIKey is UQDUEZOCVWEIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3.
What are the key properties of 4-butan-2-yloxycyclohex-2-en-1-one?
4-butan-2-yloxycyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxycyclohex-2-en-1-one is sourced from PubChem (CID 15275787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).