(1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane

C17H28O2 — CID 102073165

IUPAC(1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
SMILESC=CCO[C@@]1(C(=C)OCC)C[C@H](C)CC[C@H]1C(=C)C
InChIInChI=1S/C17H28O2/c1-7-11-19-17(15(6)18-8-2)12-14(5)9-10-16(17)13(3)4/h7,14,16H,1,3,6,8-12H2,2,4-5H3/t14-,16+,17-/m1/s1
InChIKeySBXHQBZFPUEWDT-HYVNUMGLSA-N
MW264.41 g/mol
LogP4.49
Rot. Bonds7

About (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane

(1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane (PubChem CID 102073165) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
PubChem CID102073165
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
SMILESC=CCO[C@@]1(C(=C)OCC)C[C@H](C)CC[C@H]1C(=C)C
InChIInChI=1S/C17H28O2/c1-7-11-19-17(15(6)18-8-2)12-14(5)9-10-16(17)13(3)4/h7,14,16H,1,3,6,8-12H2,2,4-5H3/t14-,16+,17-/m1/s1
InChIKeySBXHQBZFPUEWDT-HYVNUMGLSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane (CID 102073165) is (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane is C=CCO[C@@]1(C(=C)OCC)C[C@H](C)CC[C@H]1C(=C)C.
What is the InChIKey of (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
The InChIKey is SBXHQBZFPUEWDT-HYVNUMGLSA-N. The full InChI is InChI=1S/C17H28O2/c1-7-11-19-17(15(6)18-8-2)12-14(5)9-10-16(17)13(3)4/h7,14,16H,1,3,6,8-12H2,2,4-5H3/t14-,16+,17-/m1/s1.
What are the key properties of (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
(1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane has a molecular weight of 264.41 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-1-(1-ethoxyethenyl)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 102073165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).