(2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal

C10H14O3 — CID 143220767

IUPAC(2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal
SMILESC=C(/C=C(C)\C(C=O)=C\OC)OC
InChIInChI=1S/C10H14O3/c1-8(5-9(2)13-4)10(6-11)7-12-3/h5-7H,2H2,1,3-4H3/b8-5-,10-7+
InChIKeySDIPGKFYCLUGDL-OEPUHGBTSA-N
MW182.22 g/mol
LogP1.82
Rot. Bonds5

About (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal

(2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal (PubChem CID 143220767) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal.

Molecular Properties

Compound Name(2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal
PubChem CID143220767
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal
SMILESC=C(/C=C(C)\C(C=O)=C\OC)OC
InChIInChI=1S/C10H14O3/c1-8(5-9(2)13-4)10(6-11)7-12-3/h5-7H,2H2,1,3-4H3/b8-5-,10-7+
InChIKeySDIPGKFYCLUGDL-OEPUHGBTSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal?
The IUPAC name of (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal (CID 143220767) is (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal.
What is the SMILES notation for (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal?
The canonical SMILES for (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal is C=C(/C=C(C)\C(C=O)=C\OC)OC.
What is the InChIKey of (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal?
The InChIKey is SDIPGKFYCLUGDL-OEPUHGBTSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(5-9(2)13-4)10(6-11)7-12-3/h5-7H,2H2,1,3-4H3/b8-5-,10-7+.
What are the key properties of (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal?
(2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal has a molecular weight of 182.22 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-5-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienal is sourced from PubChem (CID 143220767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).