4-methoxycyclohexane-1,2,3-triol

C7H14O4 — CID 54277163

IUPAC4-methoxycyclohexane-1,2,3-triol
SMILESCOC1CCC(O)C(O)C1O
InChIInChI=1S/C7H14O4/c1-11-5-3-2-4(8)6(9)7(5)10/h4-10H,2-3H2,1H3
InChIKeyCUYYFJCNPJDVKY-UHFFFAOYSA-N
MW162.18 g/mol
LogP-1.12
Rot. Bonds1

About 4-methoxycyclohexane-1,2,3-triol

4-methoxycyclohexane-1,2,3-triol (PubChem CID 54277163) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 4-methoxycyclohexane-1,2,3-triol.

Molecular Properties

Compound Name4-methoxycyclohexane-1,2,3-triol
PubChem CID54277163
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name4-methoxycyclohexane-1,2,3-triol
SMILESCOC1CCC(O)C(O)C1O
InChIInChI=1S/C7H14O4/c1-11-5-3-2-4(8)6(9)7(5)10/h4-10H,2-3H2,1H3
InChIKeyCUYYFJCNPJDVKY-UHFFFAOYSA-N
XLogP-1.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohexane-1,2,3-triol?
The IUPAC name of 4-methoxycyclohexane-1,2,3-triol (CID 54277163) is 4-methoxycyclohexane-1,2,3-triol.
What is the SMILES notation for 4-methoxycyclohexane-1,2,3-triol?
The canonical SMILES for 4-methoxycyclohexane-1,2,3-triol is COC1CCC(O)C(O)C1O.
What is the InChIKey of 4-methoxycyclohexane-1,2,3-triol?
The InChIKey is CUYYFJCNPJDVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-11-5-3-2-4(8)6(9)7(5)10/h4-10H,2-3H2,1H3.
What are the key properties of 4-methoxycyclohexane-1,2,3-triol?
4-methoxycyclohexane-1,2,3-triol has a molecular weight of 162.18 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclohexane-1,2,3-triol is sourced from PubChem (CID 54277163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).