[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid

C10H18O6 — CID 175865144

IUPAC[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
SMILESO=C(O)C(=O)O.OCC1(CO)CCCCC1
InChIInChI=1S/C8H16O2.C2H2O4/c9-6-8(7-10)4-2-1-3-5-8;3-1(4)2(5)6/h9-10H,1-7H2;(H,3,4)(H,5,6)
InChIKeyYHKBULUCKICIIA-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.08
Rot. Bonds2

About [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid

[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid (PubChem CID 175865144) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
PubChem CID175865144
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
SMILESO=C(O)C(=O)O.OCC1(CO)CCCCC1
InChIInChI=1S/C8H16O2.C2H2O4/c9-6-8(7-10)4-2-1-3-5-8;3-1(4)2(5)6/h9-10H,1-7H2;(H,3,4)(H,5,6)
InChIKeyYHKBULUCKICIIA-UHFFFAOYSA-N
XLogP0.08
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
tris([1-(hydroxymethyl)cyclodecyl]methanol);prop-2-enoic acid
CID 66920512
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
CID 67588053
4,4-bis(hydroxymethyl)cyclohexane-1,1-dicarboxylic acid;cyclohexane
CID 161164365
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetate
CID 23675742
ethenoxyethene;[1-(hydroxymethyl)cyclohexyl]methanol;prop-2-enoic acid
CID 174637814
(1-ethylcycloheptyl)methanol
CID 56982411
[1-(fluoromethyl)cycloheptyl]methanol
CID 84764269
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid?
The IUPAC name of [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid (CID 175865144) is [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid.
What is the SMILES notation for [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid?
The canonical SMILES for [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid is O=C(O)C(=O)O.OCC1(CO)CCCCC1.
What is the InChIKey of [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid?
The InChIKey is YHKBULUCKICIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H2O4/c9-6-8(7-10)4-2-1-3-5-8;3-1(4)2(5)6/h9-10H,1-7H2;(H,3,4)(H,5,6).
What are the key properties of [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid?
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid has a molecular weight of 234.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid is sourced from PubChem (CID 175865144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).