(1Z)-1-ethoxypenta-1,4-diene

C7H12O — CID 173218089

IUPAC(1Z)-1-ethoxypenta-1,4-diene
SMILESC=CC/C=C\OCC
InChIInChI=1S/C7H12O/c1-3-5-6-7-8-4-2/h3,6-7H,1,4-5H2,2H3/b7-6-
InChIKeyUQUHVUCNWTVOAJ-SREVYHEPSA-N
MW112.17 g/mol
LogP2.11
Rot. Bonds4

About (1Z)-1-ethoxypenta-1,4-diene

(1Z)-1-ethoxypenta-1,4-diene (PubChem CID 173218089) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (1Z)-1-ethoxypenta-1,4-diene.

Molecular Properties

Compound Name(1Z)-1-ethoxypenta-1,4-diene
PubChem CID173218089
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(1Z)-1-ethoxypenta-1,4-diene
SMILESC=CC/C=C\OCC
InChIInChI=1S/C7H12O/c1-3-5-6-7-8-4-2/h3,6-7H,1,4-5H2,2H3/b7-6-
InChIKeyUQUHVUCNWTVOAJ-SREVYHEPSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-ethoxypent-1-ene
CID 12512190
3-ethoxyprop-2-enylsilane
CID 150379545
(1E)-1-ethoxybuta-1,3-diene
CID 5462978
(3E)-1,4-diethoxybuta-1,3-diene
CID 173199605
2-ethoxyethenyl-λ2-stannane
CID 173035861
1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene
CID 134208767
3-ethoxy-N,N-dimethylprop-2-en-1-amine
CID 138108716
1-ethoxyhex-1-ene
CID 53422434
hexa-1,4-diene
CID 163631115
(E)-1-ethoxy-3,3-dimethylbut-1-ene
CID 5462937
1-ethoxyundec-1-ene
CID 71331710
(Z)-1-ethoxy-4-methylhex-1-ene
CID 11400836

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-ethoxypenta-1,4-diene?
The IUPAC name of (1Z)-1-ethoxypenta-1,4-diene (CID 173218089) is (1Z)-1-ethoxypenta-1,4-diene.
What is the SMILES notation for (1Z)-1-ethoxypenta-1,4-diene?
The canonical SMILES for (1Z)-1-ethoxypenta-1,4-diene is C=CC/C=C\OCC.
What is the InChIKey of (1Z)-1-ethoxypenta-1,4-diene?
The InChIKey is UQUHVUCNWTVOAJ-SREVYHEPSA-N. The full InChI is InChI=1S/C7H12O/c1-3-5-6-7-8-4-2/h3,6-7H,1,4-5H2,2H3/b7-6-.
What are the key properties of (1Z)-1-ethoxypenta-1,4-diene?
(1Z)-1-ethoxypenta-1,4-diene has a molecular weight of 112.17 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-ethoxypenta-1,4-diene is sourced from PubChem (CID 173218089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).