(3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol

C15H20O2 — CID 155570282

IUPAC(3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol
SMILESC=CO/C(C=C)=C(/C(=C)O)[C@@H]1C=C(C)CCC1
InChIInChI=1S/C15H20O2/c1-5-14(17-6-2)15(12(4)16)13-9-7-8-11(3)10-13/h5-6,10,13,16H,1-2,4,7-9H2,3H3/b15-14-/t13-/m0/s1
InChIKeyXXOWCTWARDBDJX-YCPJBFQXSA-N
MW232.32 g/mol
LogP4.40
Rot. Bonds5

About (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol

(3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol (PubChem CID 155570282) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol
PubChem CID155570282
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol
SMILESC=CO/C(C=C)=C(/C(=C)O)[C@@H]1C=C(C)CCC1
InChIInChI=1S/C15H20O2/c1-5-14(17-6-2)15(12(4)16)13-9-7-8-11(3)10-13/h5-6,10,13,16H,1-2,4,7-9H2,3H3/b15-14-/t13-/m0/s1
InChIKeyXXOWCTWARDBDJX-YCPJBFQXSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol?
The IUPAC name of (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol (CID 155570282) is (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol is C=CO/C(C=C)=C(/C(=C)O)[C@@H]1C=C(C)CCC1.
What is the InChIKey of (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol?
The InChIKey is XXOWCTWARDBDJX-YCPJBFQXSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-14(17-6-2)15(12(4)16)13-9-7-8-11(3)10-13/h5-6,10,13,16H,1-2,4,7-9H2,3H3/b15-14-/t13-/m0/s1.
What are the key properties of (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol?
(3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol has a molecular weight of 232.32 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-ethenoxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 155570282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).