(1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol

C13H20O2 — CID 135038762

IUPAC(1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=CCOCC1=CC[C@@H](C(=C)C)C[C@@H]1O
InChIInChI=1S/C13H20O2/c1-4-7-15-9-12-6-5-11(10(2)3)8-13(12)14/h4,6,11,13-14H,1-2,5,7-9H2,3H3/t11-,13+/m1/s1
InChIKeyMYFBUWYPGPZFJK-YPMHNXCESA-N
MW208.30 g/mol
LogP2.46
Rot. Bonds5

About (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol

(1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 135038762) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID135038762
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=CCOCC1=CC[C@@H](C(=C)C)C[C@@H]1O
InChIInChI=1S/C13H20O2/c1-4-7-15-9-12-6-5-11(10(2)3)8-13(12)14/h4,6,11,13-14H,1-2,5,7-9H2,3H3/t11-,13+/m1/s1
InChIKeyMYFBUWYPGPZFJK-YPMHNXCESA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 135038762) is (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol is C=CCOCC1=CC[C@@H](C(=C)C)C[C@@H]1O.
What is the InChIKey of (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is MYFBUWYPGPZFJK-YPMHNXCESA-N. The full InChI is InChI=1S/C13H20O2/c1-4-7-15-9-12-6-5-11(10(2)3)8-13(12)14/h4,6,11,13-14H,1-2,5,7-9H2,3H3/t11-,13+/m1/s1.
What are the key properties of (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 135038762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).