2-(hydroxymethyl)cyclohexane-1-carbaldehyde

C8H14O2 — CID 13194685

IUPAC2-(hydroxymethyl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCCCC1CO
InChIInChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h5,7-8,10H,1-4,6H2
InChIKeyPGBTZZUJBOBIHB-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.98
Rot. Bonds2

About 2-(hydroxymethyl)cyclohexane-1-carbaldehyde

2-(hydroxymethyl)cyclohexane-1-carbaldehyde (PubChem CID 13194685) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-(hydroxymethyl)cyclohexane-1-carbaldehyde
PubChem CID13194685
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(hydroxymethyl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCCCC1CO
InChIInChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h5,7-8,10H,1-4,6H2
InChIKeyPGBTZZUJBOBIHB-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)cyclododecane-1-carbaldehyde
CID 54076682
[(1S,2S)-2-ethenylcyclohexyl]methanol
CID 22854364
2-[(2R)-2-formylcyclopentyl]acetic acid
CID 130646280
2-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88959727
cis-(1S,2S)-2-aminocyclohexane-1-carbaldehyde
CID 102087752
ethyl (E)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]prop-2-enoate
CID 12020426
trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449
[2-(hydroxymethyl)cyclohexyl]methanol;2-methylbut-2-enoic acid
CID 174557513
2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide
CID 153399735
2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
CID 88959857
[2-(2-fluoroethyl)cyclohexyl]methanol
CID 84716751
acetic acid;[(1R,2R)-2-(hydroxymethyl)cycloheptyl]methanol
CID 71398880

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 2-(hydroxymethyl)cyclohexane-1-carbaldehyde (CID 13194685) is 2-(hydroxymethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-(hydroxymethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 2-(hydroxymethyl)cyclohexane-1-carbaldehyde is O=CC1CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)cyclohexane-1-carbaldehyde?
The InChIKey is PGBTZZUJBOBIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h5,7-8,10H,1-4,6H2.
What are the key properties of 2-(hydroxymethyl)cyclohexane-1-carbaldehyde?
2-(hydroxymethyl)cyclohexane-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 13194685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).