[1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol

C10H20O4 — CID 18670315

IUPAC[1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol
SMILESCOCOC1CCC(CO)(CO)CC1
InChIInChI=1S/C10H20O4/c1-13-8-14-9-2-4-10(6-11,7-12)5-3-9/h9,11-12H,2-8H2,1H3
InChIKeyHPBDFZYOZDPOKW-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.52
Rot. Bonds5

About [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol

[1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol (PubChem CID 18670315) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol
PubChem CID18670315
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name[1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol
SMILESCOCOC1CCC(CO)(CO)CC1
InChIInChI=1S/C10H20O4/c1-13-8-14-9-2-4-10(6-11,7-12)5-3-9/h9,11-12H,2-8H2,1H3
InChIKeyHPBDFZYOZDPOKW-UHFFFAOYSA-N
XLogP0.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol?
The IUPAC name of [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol (CID 18670315) is [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol is COCOC1CCC(CO)(CO)CC1.
What is the InChIKey of [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol?
The InChIKey is HPBDFZYOZDPOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-13-8-14-9-2-4-10(6-11,7-12)5-3-9/h9,11-12H,2-8H2,1H3.
What are the key properties of [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol?
[1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol has a molecular weight of 204.27 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol is sourced from PubChem (CID 18670315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).