(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol

C15H24O2 — CID 11817222

IUPAC(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol
SMILESC=C([C@H]1CCC(C)=C[C@H]1O)[C@H]1O[C@@H]1CC(C)C
InChIInChI=1S/C15H24O2/c1-9(2)7-14-15(17-14)11(4)12-6-5-10(3)8-13(12)16/h8-9,12-16H,4-7H2,1-3H3/t12-,13-,14-,15-/m1/s1
InChIKeyYKNXGUULELSNBP-KBUPBQIOSA-N
MW236.35 g/mol
LogP3.07
Rot. Bonds4

About (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol

(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol (PubChem CID 11817222) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol
PubChem CID11817222
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol
SMILESC=C([C@H]1CCC(C)=C[C@H]1O)[C@H]1O[C@@H]1CC(C)C
InChIInChI=1S/C15H24O2/c1-9(2)7-14-15(17-14)11(4)12-6-5-10(3)8-13(12)16/h8-9,12-16H,4-7H2,1-3H3/t12-,13-,14-,15-/m1/s1
InChIKeyYKNXGUULELSNBP-KBUPBQIOSA-N
XLogP3.07
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol?
The IUPAC name of (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol (CID 11817222) is (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol?
The canonical SMILES for (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol is C=C([C@H]1CCC(C)=C[C@H]1O)[C@H]1O[C@@H]1CC(C)C.
What is the InChIKey of (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol?
The InChIKey is YKNXGUULELSNBP-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)7-14-15(17-14)11(4)12-6-5-10(3)8-13(12)16/h8-9,12-16H,4-7H2,1-3H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol?
(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 11817222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).