(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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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).