(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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Related Compounds

tributyl-[[(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-yl]oxymethyl]stannane
CID 12158797
[(1S,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]methanol
CID 12158798
(E)-3-[(4S,5S,6S)-2,2,5-trimethyl-6-propyl-1,3-dioxan-4-yl]prop-2-en-1-ol
CID 44604557
tert-butyl [(1S,4R,5S)-4-hydroxy-5-methylcyclohex-2-en-1-yl] carbonate
CID 102478610
4-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-2-en-1-ol
CID 134981319
[(1s,2r,5s)-5-(Methoxymethoxy)cyclopent-3-ene-1,2-diyl]dimethanol
CID 172645646
[(1R,5R,6S)-6-(hydroxymethyl)-5-(oxan-2-yloxy)cyclohex-3-en-1-yl]methanol
CID 13770281
3-[3-Hydroxypropoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]propan-1-ol
CID 18710482
3-[Hydroxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]propan-1-ol
CID 18710487
4-[4-Hydroxybutoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]butan-1-ol
CID 18710497
4-[Hydroxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]butan-1-ol
CID 18710499
5-[5-Hydroxypentoxy(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methoxy]pentan-1-ol
CID 18710506

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).