3-pentylcyclohexane-1,2-dicarbaldehyde

C13H22O2 — CID 91238755

IUPAC3-pentylcyclohexane-1,2-dicarbaldehyde
SMILESCCCCCC1CCCC(C=O)C1C=O
InChIInChI=1S/C13H22O2/c1-2-3-4-6-11-7-5-8-12(9-14)13(11)10-15/h9-13H,2-8H2,1H3
InChIKeyFRQNQEWVPDGOEF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.00
Rot. Bonds6

About 3-pentylcyclohexane-1,2-dicarbaldehyde

3-pentylcyclohexane-1,2-dicarbaldehyde (PubChem CID 91238755) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-pentylcyclohexane-1,2-dicarbaldehyde.

Molecular Properties

Compound Name3-pentylcyclohexane-1,2-dicarbaldehyde
PubChem CID91238755
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-pentylcyclohexane-1,2-dicarbaldehyde
SMILESCCCCCC1CCCC(C=O)C1C=O
InChIInChI=1S/C13H22O2/c1-2-3-4-6-11-7-5-8-12(9-14)13(11)10-15/h9-13H,2-8H2,1H3
InChIKeyFRQNQEWVPDGOEF-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
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

trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449
formic acid;1-heptyl-2-octylcyclopentane;methane
CID 158445851
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde
CID 101227517
1-pentyl-2-propylcyclopentane
CID 549948
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
2-[7-(2,6-dimethylcyclohexyl)heptyl]cyclohexane-1-carbaldehyde
CID 88960006

Frequently Asked Questions

What is the IUPAC name of 3-pentylcyclohexane-1,2-dicarbaldehyde?
The IUPAC name of 3-pentylcyclohexane-1,2-dicarbaldehyde (CID 91238755) is 3-pentylcyclohexane-1,2-dicarbaldehyde.
What is the SMILES notation for 3-pentylcyclohexane-1,2-dicarbaldehyde?
The canonical SMILES for 3-pentylcyclohexane-1,2-dicarbaldehyde is CCCCCC1CCCC(C=O)C1C=O.
What is the InChIKey of 3-pentylcyclohexane-1,2-dicarbaldehyde?
The InChIKey is FRQNQEWVPDGOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-6-11-7-5-8-12(9-14)13(11)10-15/h9-13H,2-8H2,1H3.
What are the key properties of 3-pentylcyclohexane-1,2-dicarbaldehyde?
3-pentylcyclohexane-1,2-dicarbaldehyde has a molecular weight of 210.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylcyclohexane-1,2-dicarbaldehyde is sourced from PubChem (CID 91238755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).