(2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal

C13H22O2 — CID 134224517

IUPAC(2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal
SMILESCOC(C)C/C(C=O)=C/C1CCCCC1
InChIInChI=1S/C13H22O2/c1-11(15-2)8-13(10-14)9-12-6-4-3-5-7-12/h9-12H,3-8H2,1-2H3/b13-9-
InChIKeyLCKFRJVZIKSSDL-LCYFTJDESA-N
MW210.32 g/mol
LogP3.12
Rot. Bonds5

About (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal

(2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal (PubChem CID 134224517) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal.

Molecular Properties

Compound Name(2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal
PubChem CID134224517
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal
SMILESCOC(C)C/C(C=O)=C/C1CCCCC1
InChIInChI=1S/C13H22O2/c1-11(15-2)8-13(10-14)9-12-6-4-3-5-7-12/h9-12H,3-8H2,1-2H3/b13-9-
InChIKeyLCKFRJVZIKSSDL-LCYFTJDESA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal?
The IUPAC name of (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal (CID 134224517) is (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal.
What is the SMILES notation for (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal?
The canonical SMILES for (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal is COC(C)C/C(C=O)=C/C1CCCCC1.
What is the InChIKey of (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal?
The InChIKey is LCKFRJVZIKSSDL-LCYFTJDESA-N. The full InChI is InChI=1S/C13H22O2/c1-11(15-2)8-13(10-14)9-12-6-4-3-5-7-12/h9-12H,3-8H2,1-2H3/b13-9-.
What are the key properties of (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal?
(2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal has a molecular weight of 210.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal is sourced from PubChem (CID 134224517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).