cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane

C13H22O2 — CID 134158789

IUPACcis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane
SMILESC=CCO[C@H]1CCCC[C@]1(C)OCC=C
InChIInChI=1S/C13H22O2/c1-4-10-14-12-8-6-7-9-13(12,3)15-11-5-2/h4-5,12H,1-2,6-11H2,3H3/t12-,13-/m0/s1
InChIKeyURTRLDYTIJRPIH-STQMWFEESA-N
MW210.32 g/mol
LogP3.09
Rot. Bonds6

About cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane

cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane (PubChem CID 134158789) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane.

Molecular Properties

Compound Namecis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane
PubChem CID134158789
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namecis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane
SMILESC=CCO[C@H]1CCCC[C@]1(C)OCC=C
InChIInChI=1S/C13H22O2/c1-4-10-14-12-8-6-7-9-13(12,3)15-11-5-2/h4-5,12H,1-2,6-11H2,3H3/t12-,13-/m0/s1
InChIKeyURTRLDYTIJRPIH-STQMWFEESA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-methyl-2-prop-2-enoxycyclohexan-1-ol
CID 134993276
3-(Prop-2-enyloxy)-1-oxaspiro[4.5]decane
CID 137552829
(3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane
CID 154720351
1-Methyl-1-prop-2-enoxycyclohexane
CID 20283471
(2-Methoxy-1-methylcyclohexyl) prop-2-enoate
CID 58844095
1-Methyl-2-prop-2-enoxycyclohexane
CID 88982369
(2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane
CID 89175590
2-Methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
CID 139896225
1-Prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
CID 139896285
2-(2-Methoxy-3-prop-2-enoxypropoxy)-1,3,5-trimethylcyclohexane
CID 145838615
(1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane
CID 10036035
4-Prop-2-enoxy-1-oxaspiro[2.5]octane
CID 12030292

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane?
The IUPAC name of cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane (CID 134158789) is cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane.
What is the SMILES notation for cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane?
The canonical SMILES for cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane is C=CCO[C@H]1CCCC[C@]1(C)OCC=C.
What is the InChIKey of cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane?
The InChIKey is URTRLDYTIJRPIH-STQMWFEESA-N. The full InChI is InChI=1S/C13H22O2/c1-4-10-14-12-8-6-7-9-13(12,3)15-11-5-2/h4-5,12H,1-2,6-11H2,3H3/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane?
cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane has a molecular weight of 210.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-methyl-1,2-bis(prop-2-enoxy)cyclohexane is sourced from PubChem (CID 134158789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).