1-(6-methylcyclohexen-1-yl)oxypropan-2-one

C10H16O2 — CID 13168933

IUPAC1-(6-methylcyclohexen-1-yl)oxypropan-2-one
SMILESCC(=O)COC1=CCCCC1C
InChIInChI=1S/C10H16O2/c1-8-5-3-4-6-10(8)12-7-9(2)11/h6,8H,3-5,7H2,1-2H3
InChIKeyHPYZRWPOHSBTRV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About 1-(6-methylcyclohexen-1-yl)oxypropan-2-one

1-(6-methylcyclohexen-1-yl)oxypropan-2-one (PubChem CID 13168933) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(6-methylcyclohexen-1-yl)oxypropan-2-one.

Molecular Properties

Compound Name1-(6-methylcyclohexen-1-yl)oxypropan-2-one
PubChem CID13168933
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(6-methylcyclohexen-1-yl)oxypropan-2-one
SMILESCC(=O)COC1=CCCCC1C
InChIInChI=1S/C10H16O2/c1-8-5-3-4-6-10(8)12-7-9(2)11/h6,8H,3-5,7H2,1-2H3
InChIKeyHPYZRWPOHSBTRV-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylcyclohexen-1-yl)oxypropan-2-one?
The IUPAC name of 1-(6-methylcyclohexen-1-yl)oxypropan-2-one (CID 13168933) is 1-(6-methylcyclohexen-1-yl)oxypropan-2-one.
What is the SMILES notation for 1-(6-methylcyclohexen-1-yl)oxypropan-2-one?
The canonical SMILES for 1-(6-methylcyclohexen-1-yl)oxypropan-2-one is CC(=O)COC1=CCCCC1C.
What is the InChIKey of 1-(6-methylcyclohexen-1-yl)oxypropan-2-one?
The InChIKey is HPYZRWPOHSBTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-5-3-4-6-10(8)12-7-9(2)11/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(6-methylcyclohexen-1-yl)oxypropan-2-one?
1-(6-methylcyclohexen-1-yl)oxypropan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohexen-1-yl)oxypropan-2-one is sourced from PubChem (CID 13168933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).