2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol

C16H28O4 — CID 19882880

IUPAC2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC1CCC(C(C)C)C(OC2C=CC(O)C(CO)O2)C1
InChIInChI=1S/C16H28O4/c1-10(2)12-5-4-11(3)8-14(12)19-16-7-6-13(18)15(9-17)20-16/h6-7,10-18H,4-5,8-9H2,1-3H3
InChIKeyXLEJTMQAXLHJMY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.10
Rot. Bonds4

About 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol

2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 19882880) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID19882880
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC1CCC(C(C)C)C(OC2C=CC(O)C(CO)O2)C1
InChIInChI=1S/C16H28O4/c1-10(2)12-5-4-11(3)8-14(12)19-16-7-6-13(18)15(9-17)20-16/h6-7,10-18H,4-5,8-9H2,1-3H3
InChIKeyXLEJTMQAXLHJMY-UHFFFAOYSA-N
XLogP2.10
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol (CID 19882880) is 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol is CC1CCC(C(C)C)C(OC2C=CC(O)C(CO)O2)C1.
What is the InChIKey of 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is XLEJTMQAXLHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-10(2)12-5-4-11(3)8-14(12)19-16-7-6-13(18)15(9-17)20-16/h6-7,10-18H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol?
2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 284.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 19882880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).