(1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol

C12H20O2 — CID 11333059

IUPAC(1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol
SMILESCCO/C=C/C1=C[C@@H](O)C[C@@H](CC)C1
InChIInChI=1S/C12H20O2/c1-3-10-7-11(5-6-14-4-2)9-12(13)8-10/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3/b6-5+/t10-,12-/m0/s1
InChIKeyMIWQPYWQYDDLAQ-FANORHCKSA-N
MW196.29 g/mol
LogP2.64
Rot. Bonds4

About (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol

(1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol (PubChem CID 11333059) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol
PubChem CID11333059
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol
SMILESCCO/C=C/C1=C[C@@H](O)C[C@@H](CC)C1
InChIInChI=1S/C12H20O2/c1-3-10-7-11(5-6-14-4-2)9-12(13)8-10/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3/b6-5+/t10-,12-/m0/s1
InChIKeyMIWQPYWQYDDLAQ-FANORHCKSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol?
The IUPAC name of (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol (CID 11333059) is (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol is CCO/C=C/C1=C[C@@H](O)C[C@@H](CC)C1.
What is the InChIKey of (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol?
The InChIKey is MIWQPYWQYDDLAQ-FANORHCKSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-10-7-11(5-6-14-4-2)9-12(13)8-10/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3/b6-5+/t10-,12-/m0/s1.
What are the key properties of (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol?
(1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-[(E)-2-ethoxyethenyl]-5-ethylcyclohex-2-en-1-ol is sourced from PubChem (CID 11333059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).