(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene

C12H18O — CID 14889719

IUPAC(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=CO[C@@H]1C[C@@H](C(=C)C)CC=C1C
InChIInChI=1S/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h5-6,11-12H,1-2,7-8H2,3-4H3/t11-,12+/m0/s1
InChIKeyLWJUQXRGRWYVBT-NWDGAFQWSA-N
MW178.27 g/mol
LogP3.45
Rot. Bonds3

About (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene

(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 14889719) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID14889719
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=CO[C@@H]1C[C@@H](C(=C)C)CC=C1C
InChIInChI=1S/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h5-6,11-12H,1-2,7-8H2,3-4H3/t11-,12+/m0/s1
InChIKeyLWJUQXRGRWYVBT-NWDGAFQWSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 14889719) is (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene is C=CO[C@@H]1C[C@@H](C(=C)C)CC=C1C.
What is the InChIKey of (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is LWJUQXRGRWYVBT-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h5-6,11-12H,1-2,7-8H2,3-4H3/t11-,12+/m0/s1.
What are the key properties of (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 178.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 14889719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).