cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane

C10H18O — CID 134875272

IUPACcis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane
SMILESC=CC[C@@H]1CCCC[C@H]1OC
InChIInChI=1S/C10H18O/c1-3-6-9-7-4-5-8-10(9)11-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyZHMYQRAZRXHRBI-NXEZZACHSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds3

About cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane

cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane (PubChem CID 134875272) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane.

Molecular Properties

Compound Namecis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane
PubChem CID134875272
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Namecis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane
SMILESC=CC[C@@H]1CCCC[C@H]1OC
InChIInChI=1S/C10H18O/c1-3-6-9-7-4-5-8-10(9)11-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyZHMYQRAZRXHRBI-NXEZZACHSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane?
The IUPAC name of cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane (CID 134875272) is cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane.
What is the SMILES notation for cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane?
The canonical SMILES for cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane is C=CC[C@@H]1CCCC[C@H]1OC.
What is the InChIKey of cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane?
The InChIKey is ZHMYQRAZRXHRBI-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-3-6-9-7-4-5-8-10(9)11-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane?
cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane is sourced from PubChem (CID 134875272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).