1-(2-methoxycyclohexyl)propan-2-one

C10H18O2 — CID 574348

IUPAC1-(2-methoxycyclohexyl)propan-2-one
SMILESCOC1CCCCC1CC(C)=O
InChIInChI=1S/C10H18O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h9-10H,3-7H2,1-2H3
InChIKeyGTTNQWPJXUAKFA-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-methoxycyclohexyl)propan-2-one

1-(2-methoxycyclohexyl)propan-2-one (PubChem CID 574348) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(2-methoxycyclohexyl)propan-2-one.

Molecular Properties

Compound Name1-(2-methoxycyclohexyl)propan-2-one
PubChem CID574348
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(2-methoxycyclohexyl)propan-2-one
SMILESCOC1CCCCC1CC(C)=O
InChIInChI=1S/C10H18O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h9-10H,3-7H2,1-2H3
InChIKeyGTTNQWPJXUAKFA-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexyl)propan-2-one?
The IUPAC name of 1-(2-methoxycyclohexyl)propan-2-one (CID 574348) is 1-(2-methoxycyclohexyl)propan-2-one.
What is the SMILES notation for 1-(2-methoxycyclohexyl)propan-2-one?
The canonical SMILES for 1-(2-methoxycyclohexyl)propan-2-one is COC1CCCCC1CC(C)=O.
What is the InChIKey of 1-(2-methoxycyclohexyl)propan-2-one?
The InChIKey is GTTNQWPJXUAKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-(2-methoxycyclohexyl)propan-2-one?
1-(2-methoxycyclohexyl)propan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexyl)propan-2-one is sourced from PubChem (CID 574348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).