trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane

C11H20O — CID 134861120

IUPACtrans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CC[C@@H](C)[C@H](OC)C1
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h9-11H,1,5-7H2,2-4H3/t9-,10?,11-/m1/s1
InChIKeyMUYBGQMFRILGDY-GLYLRITDSA-N
MW168.28 g/mol
LogP3.01
Rot. Bonds2

About trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane

trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane (PubChem CID 134861120) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
PubChem CID134861120
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nametrans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CC[C@@H](C)[C@H](OC)C1
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h9-11H,1,5-7H2,2-4H3/t9-,10?,11-/m1/s1
InChIKeyMUYBGQMFRILGDY-GLYLRITDSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.01
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 trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane (CID 134861120) is trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane is C=C(C)C1CC[C@@H](C)[C@H](OC)C1.
What is the InChIKey of trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane?
The InChIKey is MUYBGQMFRILGDY-GLYLRITDSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h9-11H,1,5-7H2,2-4H3/t9-,10?,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane?
trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 134861120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).