(3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone

C14H24O6 — CID 140693015

IUPAC(3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone
SMILESCOC1CC(O)CC(O)C1C(=O)C1CCC(O)C(O)C1
InChIInChI=1S/C14H24O6/c1-20-12-6-8(15)5-11(18)13(12)14(19)7-2-3-9(16)10(17)4-7/h7-13,15-18H,2-6H2,1H3
InChIKeyGOXBIUBFGJCWFQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.78
Rot. Bonds3

About (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone

(3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone (PubChem CID 140693015) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone
PubChem CID140693015
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name(3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone
SMILESCOC1CC(O)CC(O)C1C(=O)C1CCC(O)C(O)C1
InChIInChI=1S/C14H24O6/c1-20-12-6-8(15)5-11(18)13(12)14(19)7-2-3-9(16)10(17)4-7/h7-13,15-18H,2-6H2,1H3
InChIKeyGOXBIUBFGJCWFQ-UHFFFAOYSA-N
XLogP-0.78
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,3S,4R)-4-hydroxy-3-methoxycyclohexane-1-carboxylic acid
CID 139598760
1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-methylpropan-1-one
CID 163879903
1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]ethanone
CID 93498647
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
cis-(1R,2S)-cyclopentane-1,2,4-triol
CID 11073392
methyl 3-bromo-4-hydroxycyclohexane-1-carboxylate
CID 59143766
(3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate
CID 154167556
methyl (1R,2R,3S,5R,6S)-3-hydroxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10489581
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
3-methoxy-4-methylcyclohexan-1-ol
CID 89006966
2-(4-hydroxy-3-methoxycyclohexyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene-3,5,7-triol
CID 162883968

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone?
The IUPAC name of (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone (CID 140693015) is (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone.
What is the SMILES notation for (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone?
The canonical SMILES for (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone is COC1CC(O)CC(O)C1C(=O)C1CCC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone?
The InChIKey is GOXBIUBFGJCWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-20-12-6-8(15)5-11(18)13(12)14(19)7-2-3-9(16)10(17)4-7/h7-13,15-18H,2-6H2,1H3.
What are the key properties of (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone?
(3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone has a molecular weight of 288.34 g/mol, XLogP of -0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxycyclohexyl)-(2,4-dihydroxy-6-methoxycyclohexyl)methanone is sourced from PubChem (CID 140693015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).