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

C12H20O2 — CID 11148281

IUPAC(1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1CC=C(C)[C@@](O)(CCO)C1
InChIInChI=1S/C12H20O2/c1-9(2)11-5-4-10(3)12(14,8-11)6-7-13/h4,11,13-14H,1,5-8H2,2-3H3/t11-,12-/m1/s1
InChIKeyCSCGMABHQZIUSC-VXGBXAGGSA-N
MW196.29 g/mol
LogP2.03
Rot. Bonds3

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

(1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 11148281) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID11148281
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1CC=C(C)[C@@](O)(CCO)C1
InChIInChI=1S/C12H20O2/c1-9(2)11-5-4-10(3)12(14,8-11)6-7-13/h4,11,13-14H,1,5-8H2,2-3H3/t11-,12-/m1/s1
InChIKeyCSCGMABHQZIUSC-VXGBXAGGSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.03
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 (1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 11148281) is (1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)[C@@H]1CC=C(C)[C@@](O)(CCO)C1.
What is the InChIKey of (1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is CSCGMABHQZIUSC-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)11-5-4-10(3)12(14,8-11)6-7-13/h4,11,13-14H,1,5-8H2,2-3H3/t11-,12-/m1/s1.
What are the key properties of (1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-(2-hydroxyethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 11148281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).