cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane

C11H20O2 — CID 59659178

IUPACcis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane
SMILESC=CCO[C@@H]1CCC[C@H](COC)C1
InChIInChI=1S/C11H20O2/c1-3-7-13-11-6-4-5-10(8-11)9-12-2/h3,10-11H,1,4-9H2,2H3/t10-,11+/m0/s1
InChIKeyZGMINBNLDPVTIM-WDEREUQCSA-N
MW184.28 g/mol
LogP2.39
Rot. Bonds5

About cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane

cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane (PubChem CID 59659178) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane.

Molecular Properties

Compound Namecis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane
PubChem CID59659178
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namecis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane
SMILESC=CCO[C@@H]1CCC[C@H](COC)C1
InChIInChI=1S/C11H20O2/c1-3-7-13-11-6-4-5-10(8-11)9-12-2/h3,10-11H,1,4-9H2,2H3/t10-,11+/m0/s1
InChIKeyZGMINBNLDPVTIM-WDEREUQCSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane?
The IUPAC name of cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane (CID 59659178) is cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane.
What is the SMILES notation for cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane?
The canonical SMILES for cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane is C=CCO[C@@H]1CCC[C@H](COC)C1.
What is the InChIKey of cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane?
The InChIKey is ZGMINBNLDPVTIM-WDEREUQCSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-13-11-6-4-5-10(8-11)9-12-2/h3,10-11H,1,4-9H2,2H3/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane?
cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane has a molecular weight of 184.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane is sourced from PubChem (CID 59659178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).