(4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one

C10H16O3 — CID 162418960

IUPAC(4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one
SMILESCOCOCC[C@@H]1C=CC(=O)CC1
InChIInChI=1S/C10H16O3/c1-12-8-13-7-6-9-2-4-10(11)5-3-9/h2,4,9H,3,5-8H2,1H3/t9-/m1/s1
InChIKeyJMUFTNYSSBKTQV-SECBINFHSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds5

About (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one

(4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one (PubChem CID 162418960) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one
PubChem CID162418960
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one
SMILESCOCOCC[C@@H]1C=CC(=O)CC1
InChIInChI=1S/C10H16O3/c1-12-8-13-7-6-9-2-4-10(11)5-3-9/h2,4,9H,3,5-8H2,1H3/t9-/m1/s1
InChIKeyJMUFTNYSSBKTQV-SECBINFHSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one?
The IUPAC name of (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one (CID 162418960) is (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one is COCOCC[C@@H]1C=CC(=O)CC1.
What is the InChIKey of (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one?
The InChIKey is JMUFTNYSSBKTQV-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-8-13-7-6-9-2-4-10(11)5-3-9/h2,4,9H,3,5-8H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one?
(4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 162418960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).