(3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate

C14H24O6 — CID 3024170

IUPAC(3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate
SMILESO=C(OCC1CCC(O)C(O)C1)C1CCC(O)C(O)C1
InChIInChI=1S/C14H24O6/c15-10-3-1-8(5-12(10)17)7-20-14(19)9-2-4-11(16)13(18)6-9/h8-13,15-18H,1-7H2
InChIKeyLYQQPZWYRFFELF-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.43
Rot. Bonds3

About (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate

(3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate (PubChem CID 3024170) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name(3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate
PubChem CID3024170
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name(3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate
SMILESO=C(OCC1CCC(O)C(O)C1)C1CCC(O)C(O)C1
InChIInChI=1S/C14H24O6/c15-10-3-1-8(5-12(10)17)7-20-14(19)9-2-4-11(16)13(18)6-9/h8-13,15-18H,1-7H2
InChIKeyLYQQPZWYRFFELF-UHFFFAOYSA-N
XLogP-0.43
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 ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate?
The IUPAC name of (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate (CID 3024170) is (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate.
What is the SMILES notation for (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate?
The canonical SMILES for (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate is O=C(OCC1CCC(O)C(O)C1)C1CCC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate?
The InChIKey is LYQQPZWYRFFELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c15-10-3-1-8(5-12(10)17)7-20-14(19)9-2-4-11(16)13(18)6-9/h8-13,15-18H,1-7H2.
What are the key properties of (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate?
(3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate has a molecular weight of 288.34 g/mol, XLogP of -0.43, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 3024170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).