cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one

C11H18O3 — CID 124635148

IUPACcis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one
SMILESC=CC[C@@H]1C[C@H](OCOC)CCC1=O
InChIInChI=1S/C11H18O3/c1-3-4-9-7-10(14-8-13-2)5-6-11(9)12/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyPGUQCUGTZFNQEQ-NXEZZACHSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds5

About cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one

cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one (PubChem CID 124635148) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one
PubChem CID124635148
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namecis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one
SMILESC=CC[C@@H]1C[C@H](OCOC)CCC1=O
InChIInChI=1S/C11H18O3/c1-3-4-9-7-10(14-8-13-2)5-6-11(9)12/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyPGUQCUGTZFNQEQ-NXEZZACHSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one?
The IUPAC name of cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one (CID 124635148) is cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one?
The canonical SMILES for cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one is C=CC[C@@H]1C[C@H](OCOC)CCC1=O.
What is the InChIKey of cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one?
The InChIKey is PGUQCUGTZFNQEQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-4-9-7-10(14-8-13-2)5-6-11(9)12/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one?
cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 124635148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).