(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol

C10H18O4 — CID 11528544

IUPAC(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol
SMILESCOCO[C@H]1C=C[C@H](O)[C@@H](COC)C1
InChIInChI=1S/C10H18O4/c1-12-6-8-5-9(14-7-13-2)3-4-10(8)11/h3-4,8-11H,5-7H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeyKFADGPATJGLAMC-UTLUCORTSA-N
MW202.25 g/mol
LogP0.56
Rot. Bonds5

About (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol

(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol (PubChem CID 11528544) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol
PubChem CID11528544
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol
SMILESCOCO[C@H]1C=C[C@H](O)[C@@H](COC)C1
InChIInChI=1S/C10H18O4/c1-12-6-8-5-9(14-7-13-2)3-4-10(8)11/h3-4,8-11H,5-7H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeyKFADGPATJGLAMC-UTLUCORTSA-N
XLogP0.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol?
The IUPAC name of (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol (CID 11528544) is (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol?
The canonical SMILES for (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol is COCO[C@H]1C=C[C@H](O)[C@@H](COC)C1.
What is the InChIKey of (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol?
The InChIKey is KFADGPATJGLAMC-UTLUCORTSA-N. The full InChI is InChI=1S/C10H18O4/c1-12-6-8-5-9(14-7-13-2)3-4-10(8)11/h3-4,8-11H,5-7H2,1-2H3/t8-,9+,10+/m1/s1.
What are the key properties of (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol?
(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol has a molecular weight of 202.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 11528544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).