1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one

C11H20O3 — CID 118218363

IUPAC1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one
SMILESCCC(=O)C1(OC)CCC(CO)CC1
InChIInChI=1S/C11H20O3/c1-3-10(13)11(14-2)6-4-9(8-12)5-7-11/h9,12H,3-8H2,1-2H3
InChIKeyRMVPENOHXAIMGO-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.53
Rot. Bonds4

About 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one

1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one (PubChem CID 118218363) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one
PubChem CID118218363
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one
SMILESCCC(=O)C1(OC)CCC(CO)CC1
InChIInChI=1S/C11H20O3/c1-3-10(13)11(14-2)6-4-9(8-12)5-7-11/h9,12H,3-8H2,1-2H3
InChIKeyRMVPENOHXAIMGO-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one?
The IUPAC name of 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one (CID 118218363) is 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one?
The canonical SMILES for 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one is CCC(=O)C1(OC)CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one?
The InChIKey is RMVPENOHXAIMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-10(13)11(14-2)6-4-9(8-12)5-7-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one?
1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-1-methoxycyclohexyl]propan-1-one is sourced from PubChem (CID 118218363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).