[6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol

C10H20O3 — CID 24844132

IUPAC[6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol
SMILESCC1(CO)CCC(CO)C(C)(C)O1
InChIInChI=1S/C10H20O3/c1-9(2)8(6-11)4-5-10(3,7-12)13-9/h8,11-12H,4-7H2,1-3H3
InChIKeyBBTHHMYINDYBIF-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.93
Rot. Bonds2

About [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol

[6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol (PubChem CID 24844132) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol
PubChem CID24844132
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name[6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol
SMILESCC1(CO)CCC(CO)C(C)(C)O1
InChIInChI=1S/C10H20O3/c1-9(2)8(6-11)4-5-10(3,7-12)13-9/h8,11-12H,4-7H2,1-3H3
InChIKeyBBTHHMYINDYBIF-UHFFFAOYSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol (CID 24844132) is [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol is CC1(CO)CCC(CO)C(C)(C)O1.
What is the InChIKey of [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol?
The InChIKey is BBTHHMYINDYBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2)8(6-11)4-5-10(3,7-12)13-9/h8,11-12H,4-7H2,1-3H3.
What are the key properties of [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol?
[6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol has a molecular weight of 188.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol is sourced from PubChem (CID 24844132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).