2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde

C9H16O3 — CID 106875208

IUPAC2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
SMILESCOC1CCCCC1(O)CC=O
InChIInChI=1S/C9H16O3/c1-12-8-4-2-3-5-9(8,11)6-7-10/h7-8,11H,2-6H2,1H3
InChIKeyMUVSWWVURNSWIL-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.90
Rot. Bonds3

About 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde

2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde (PubChem CID 106875208) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
PubChem CID106875208
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
SMILESCOC1CCCCC1(O)CC=O
InChIInChI=1S/C9H16O3/c1-12-8-4-2-3-5-9(8,11)6-7-10/h7-8,11H,2-6H2,1H3
InChIKeyMUVSWWVURNSWIL-UHFFFAOYSA-N
XLogP0.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
1-[(cyclopropylamino)methyl]-2-methoxycyclohexan-1-ol
CID 106874406
2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 106873575
2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde
CID 114795390
1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873721
2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 106873747
2-methoxy-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 106873705
2-methoxy-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
CID 106873763
2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol
CID 106873775
1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873605
2-methoxycyclohexane-1,1-diamine
CID 22418278

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde?
The IUPAC name of 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde (CID 106875208) is 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde?
The canonical SMILES for 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde is COC1CCCCC1(O)CC=O.
What is the InChIKey of 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde?
The InChIKey is MUVSWWVURNSWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-12-8-4-2-3-5-9(8,11)6-7-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde?
2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde has a molecular weight of 172.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde is sourced from PubChem (CID 106875208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).