trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane

C9H16O — CID 14291130

IUPACtrans-(1R,2R)-1-ethenyl-2-methoxycyclohexane
SMILESC=C[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C9H16O/c1-3-8-6-4-5-7-9(8)10-2/h3,8-9H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyZROCZVNXHMMGCK-DTWKUNHWSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane

trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane (PubChem CID 14291130) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-ethenyl-2-methoxycyclohexane
PubChem CID14291130
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Nametrans-(1R,2R)-1-ethenyl-2-methoxycyclohexane
SMILESC=C[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C9H16O/c1-3-8-6-4-5-7-9(8)10-2/h3,8-9H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyZROCZVNXHMMGCK-DTWKUNHWSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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)-1-ethenyl-2-methoxycyclohexane?
The IUPAC name of trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane (CID 14291130) is trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane?
The canonical SMILES for trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane is C=C[C@H]1CCCC[C@H]1OC.
What is the InChIKey of trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane?
The InChIKey is ZROCZVNXHMMGCK-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8-6-4-5-7-9(8)10-2/h3,8-9H,1,4-7H2,2H3/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane?
trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane is sourced from PubChem (CID 14291130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).