2-cyclohexyl-2-hydroxyhexanal

C12H22O2 — CID 174819252

IUPAC2-cyclohexyl-2-hydroxyhexanal
SMILESCCCCC(O)(C=O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-2-3-9-12(14,10-13)11-7-5-4-6-8-11/h10-11,14H,2-9H2,1H3
InChIKeyPSFYPSUUTOTMJK-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.69
Rot. Bonds5

About 2-cyclohexyl-2-hydroxyhexanal

2-cyclohexyl-2-hydroxyhexanal (PubChem CID 174819252) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxyhexanal.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxyhexanal
PubChem CID174819252
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-cyclohexyl-2-hydroxyhexanal
SMILESCCCCC(O)(C=O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-2-3-9-12(14,10-13)11-7-5-4-6-8-11/h10-11,14H,2-9H2,1H3
InChIKeyPSFYPSUUTOTMJK-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.69
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

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2-butyl-2-cyclohexyl-3-pentylidenebutanedioic acid
CID 70925921
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxyhexanal?
The IUPAC name of 2-cyclohexyl-2-hydroxyhexanal (CID 174819252) is 2-cyclohexyl-2-hydroxyhexanal.
What is the SMILES notation for 2-cyclohexyl-2-hydroxyhexanal?
The canonical SMILES for 2-cyclohexyl-2-hydroxyhexanal is CCCCC(O)(C=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-hydroxyhexanal?
The InChIKey is PSFYPSUUTOTMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-9-12(14,10-13)11-7-5-4-6-8-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-cyclohexyl-2-hydroxyhexanal?
2-cyclohexyl-2-hydroxyhexanal has a molecular weight of 198.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxyhexanal is sourced from PubChem (CID 174819252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).