6-methoxycyclohex-4-ene-1,2,3-triol

C7H12O4 — CID 85238693

IUPAC6-methoxycyclohex-4-ene-1,2,3-triol
SMILESCOC1C=CC(O)C(O)C1O
InChIInChI=1S/C7H12O4/c1-11-5-3-2-4(8)6(9)7(5)10/h2-10H,1H3
InChIKeyGAGHYDLZWMBHKQ-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.35
Rot. Bonds1

About 6-methoxycyclohex-4-ene-1,2,3-triol

6-methoxycyclohex-4-ene-1,2,3-triol (PubChem CID 85238693) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 6-methoxycyclohex-4-ene-1,2,3-triol.

Molecular Properties

Compound Name6-methoxycyclohex-4-ene-1,2,3-triol
PubChem CID85238693
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name6-methoxycyclohex-4-ene-1,2,3-triol
SMILESCOC1C=CC(O)C(O)C1O
InChIInChI=1S/C7H12O4/c1-11-5-3-2-4(8)6(9)7(5)10/h2-10H,1H3
InChIKeyGAGHYDLZWMBHKQ-UHFFFAOYSA-N
XLogP-1.35
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol
CID 10057625
(1S,2R,5S)-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-ene-1,2-diol
CID 101333945
[(1S,4S,5S,6R)-6-acetyloxy-4,5-dihydroxycyclohex-2-en-1-yl] acetate
CID 11128106
[(1R,4S,5R,6S)-6-acetyloxy-4,5-dihydroxycyclohex-2-en-1-yl] acetate
CID 101203630
[(1S,4S,5S,6S)-6-acetyloxy-4,5-dihydroxycyclohex-2-en-1-yl] acetate
CID 102518583
(1R,2R,3R,6S)-6-[methyl-[(1S,4R,5R,6R)-4,5,6-trihydroxycyclohex-2-en-1-yl]amino]cyclohex-4-ene-1,2,3-triol
CID 71215418
4-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol
CID 122493523
6-methoxy-3-methylcyclohexa-2,4-dien-1-ol
CID 89265152
(1R,2S,3S,6R)-4-iodo-6-methoxycyclohex-4-ene-1,2,3-triol
CID 139094887
(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol
CID 10486977
(2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one
CID 24859784
cyclobut-3-ene-1,2-diol
CID 12513563

Frequently Asked Questions

What is the IUPAC name of 6-methoxycyclohex-4-ene-1,2,3-triol?
The IUPAC name of 6-methoxycyclohex-4-ene-1,2,3-triol (CID 85238693) is 6-methoxycyclohex-4-ene-1,2,3-triol.
What is the SMILES notation for 6-methoxycyclohex-4-ene-1,2,3-triol?
The canonical SMILES for 6-methoxycyclohex-4-ene-1,2,3-triol is COC1C=CC(O)C(O)C1O.
What is the InChIKey of 6-methoxycyclohex-4-ene-1,2,3-triol?
The InChIKey is GAGHYDLZWMBHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-11-5-3-2-4(8)6(9)7(5)10/h2-10H,1H3.
What are the key properties of 6-methoxycyclohex-4-ene-1,2,3-triol?
6-methoxycyclohex-4-ene-1,2,3-triol has a molecular weight of 160.17 g/mol, XLogP of -1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycyclohex-4-ene-1,2,3-triol is sourced from PubChem (CID 85238693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).