(1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol

C11H18O3 — CID 10845639

IUPAC(1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol
SMILESO[C@@H]1C=C[C@H](OC2CCCCO2)CC1
InChIInChI=1S/C11H18O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4,6,9-12H,1-3,5,7-8H2/t9-,10+,11?/m1/s1
InChIKeyBTPKBRICRVZFGT-JKIOLJMWSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds2

About (1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol

(1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol (PubChem CID 10845639) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol
PubChem CID10845639
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol
SMILESO[C@@H]1C=C[C@H](OC2CCCCO2)CC1
InChIInChI=1S/C11H18O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4,6,9-12H,1-3,5,7-8H2/t9-,10+,11?/m1/s1
InChIKeyBTPKBRICRVZFGT-JKIOLJMWSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol?
The IUPAC name of (1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol (CID 10845639) is (1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol is O[C@@H]1C=C[C@H](OC2CCCCO2)CC1.
What is the InChIKey of (1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol?
The InChIKey is BTPKBRICRVZFGT-JKIOLJMWSA-N. The full InChI is InChI=1S/C11H18O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4,6,9-12H,1-3,5,7-8H2/t9-,10+,11?/m1/s1.
What are the key properties of (1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol?
(1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol is sourced from PubChem (CID 10845639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).