1-(cyclohexylmethoxy)propan-2-one

C10H18O2 — CID 12739798

IUPAC1-(cyclohexylmethoxy)propan-2-one
SMILESCC(=O)COCC1CCCCC1
InChIInChI=1S/C10H18O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyYYDZRPFTFYRAKO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds4

About 1-(cyclohexylmethoxy)propan-2-one

1-(cyclohexylmethoxy)propan-2-one (PubChem CID 12739798) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)propan-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)propan-2-one
PubChem CID12739798
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(cyclohexylmethoxy)propan-2-one
SMILESCC(=O)COCC1CCCCC1
InChIInChI=1S/C10H18O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyYYDZRPFTFYRAKO-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(cyclohexylmethoxy)propan-2-one?
The IUPAC name of 1-(cyclohexylmethoxy)propan-2-one (CID 12739798) is 1-(cyclohexylmethoxy)propan-2-one.
What is the SMILES notation for 1-(cyclohexylmethoxy)propan-2-one?
The canonical SMILES for 1-(cyclohexylmethoxy)propan-2-one is CC(=O)COCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethoxy)propan-2-one?
The InChIKey is YYDZRPFTFYRAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h10H,2-8H2,1H3.
What are the key properties of 1-(cyclohexylmethoxy)propan-2-one?
1-(cyclohexylmethoxy)propan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)propan-2-one is sourced from PubChem (CID 12739798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).