[2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium

C14H27O3+ — CID 140562593

IUPAC[2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium
SMILESOC1CCCCC1COCC1CCCCC1[OH2+]
InChIInChI=1S/C14H26O3/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16/h11-16H,1-10H2/p+1
InChIKeyBLYNIACWQPGZRA-UHFFFAOYSA-O
MW243.37 g/mol
LogP1.84
Rot. Bonds4

About [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium

[2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium (PubChem CID 140562593) has the molecular formula C14H27O3+ and a molecular weight of 243.37 g/mol. Its IUPAC name is [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium.

Molecular Properties

Compound Name[2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium
PubChem CID140562593
Molecular FormulaC14H27O3+
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name[2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium
SMILESOC1CCCCC1COCC1CCCCC1[OH2+]
InChIInChI=1S/C14H26O3/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16/h11-16H,1-10H2/p+1
InChIKeyBLYNIACWQPGZRA-UHFFFAOYSA-O
XLogP1.84
TPSA52.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentyloxymethyl)cyclopentan-1-ol
CID 130145318
cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
CID 56971486
[(1R,2S)-2-hydroxycyclopentyl]methyl acetate
CID 10986511
cis-(1R,2S)-2-(2-hydroxyethyl)cyclohexan-1-ol
CID 71357650
2-(2-methoxyethyl)cyclohexan-1-ol
CID 14682106
(1R)-2-propylcyclohexan-1-ol
CID 144627240
trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride
CID 2725085
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
[(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium
CID 7360395
2-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 93495946
2-[2-(2-methylpropoxy)ethyl]cyclohexan-1-ol
CID 106455939
2-[(3-methylphenoxy)methyl]cyclohexan-1-ol
CID 58097648

Frequently Asked Questions

What is the IUPAC name of [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium?
The IUPAC name of [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium (CID 140562593) is [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium.
What is the SMILES notation for [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium?
The canonical SMILES for [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium is OC1CCCCC1COCC1CCCCC1[OH2+].
What is the InChIKey of [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium?
The InChIKey is BLYNIACWQPGZRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26O3/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16/h11-16H,1-10H2/p+1.
What are the key properties of [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium?
[2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium has a molecular weight of 243.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-hydroxycyclohexyl)methoxymethyl]cyclohexyl]oxidanium is sourced from PubChem (CID 140562593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).