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

C11H18O2 — CID 12991687

IUPAC(1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@H]1CC=C(CCO)[C@H](O)C1
InChIInChI=1S/C11H18O2/c1-8(2)10-4-3-9(5-6-12)11(13)7-10/h3,10-13H,1,4-7H2,2H3/t10-,11+/m0/s1
InChIKeyYZBJQGMPVSKEHO-WDEREUQCSA-N
MW182.26 g/mol
LogP1.64
Rot. Bonds3

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

(1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 12991687) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID12991687
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@H]1CC=C(CCO)[C@H](O)C1
InChIInChI=1S/C11H18O2/c1-8(2)10-4-3-9(5-6-12)11(13)7-10/h3,10-13H,1,4-7H2,2H3/t10-,11+/m0/s1
InChIKeyYZBJQGMPVSKEHO-WDEREUQCSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 12991687) is (1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)[C@H]1CC=C(CCO)[C@H](O)C1.
What is the InChIKey of (1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is YZBJQGMPVSKEHO-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)10-4-3-9(5-6-12)11(13)7-10/h3,10-13H,1,4-7H2,2H3/t10-,11+/m0/s1.
What are the key properties of (1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 182.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-(2-hydroxyethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 12991687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).