2-(1-hydroxycyclohexyl)heptanal

C13H24O2 — CID 21267596

IUPAC2-(1-hydroxycyclohexyl)heptanal
SMILESCCCCCC(C=O)C1(O)CCCCC1
InChIInChI=1S/C13H24O2/c1-2-3-5-8-12(11-14)13(15)9-6-4-7-10-13/h11-12,15H,2-10H2,1H3
InChIKeyVWNDFRLPFIUILS-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.08
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)heptanal

2-(1-hydroxycyclohexyl)heptanal (PubChem CID 21267596) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)heptanal.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)heptanal
PubChem CID21267596
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(1-hydroxycyclohexyl)heptanal
SMILESCCCCCC(C=O)C1(O)CCCCC1
InChIInChI=1S/C13H24O2/c1-2-3-5-8-12(11-14)13(15)9-6-4-7-10-13/h11-12,15H,2-10H2,1H3
InChIKeyVWNDFRLPFIUILS-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hydroxycitronellal
CID 7888
alpha-Ethyl-1-hydroxycyclohexaneacetic acid
CID 72065
(S)-7-hydroxy-3,7-dimethyloctanal
CID 1715134
Cyclobutoic Acid
CID 71889
8-Hydroxy-p-menthan-3-one
CID 3014189
trans-(2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
CID 21630930
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)heptanal
CID 36945
8-Hydroxymenthone
CID 13614904
Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate
CID 103503
(r)-7-Hydroxy-3,7-dimethyl-octanal
CID 1550260
Ethyl 2-(1-hydroxycyclohexyl)propanoate
CID 298865
3-Hydroxy-2-octyl-dodecanal
CID 11186057

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)heptanal?
The IUPAC name of 2-(1-hydroxycyclohexyl)heptanal (CID 21267596) is 2-(1-hydroxycyclohexyl)heptanal.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)heptanal?
The canonical SMILES for 2-(1-hydroxycyclohexyl)heptanal is CCCCCC(C=O)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)heptanal?
The InChIKey is VWNDFRLPFIUILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-5-8-12(11-14)13(15)9-6-4-7-10-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-(1-hydroxycyclohexyl)heptanal?
2-(1-hydroxycyclohexyl)heptanal has a molecular weight of 212.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)heptanal is sourced from PubChem (CID 21267596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).