(3E)-3-(1-ethoxyethyl)penta-1,3-diene

C9H16O — CID 143486884

IUPAC(3E)-3-(1-ethoxyethyl)penta-1,3-diene
SMILESC=C/C(=C\C)C(C)OCC
InChIInChI=1S/C9H16O/c1-5-9(6-2)8(4)10-7-3/h5-6,8H,1,7H2,2-4H3/b9-6+
InChIKeyRWJVMOJIOSDQSR-RMKNXTFCSA-N
MW140.23 g/mol
LogP2.54
Rot. Bonds4

About (3E)-3-(1-ethoxyethyl)penta-1,3-diene

(3E)-3-(1-ethoxyethyl)penta-1,3-diene (PubChem CID 143486884) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3E)-3-(1-ethoxyethyl)penta-1,3-diene.

Molecular Properties

Compound Name(3E)-3-(1-ethoxyethyl)penta-1,3-diene
PubChem CID143486884
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3E)-3-(1-ethoxyethyl)penta-1,3-diene
SMILESC=C/C(=C\C)C(C)OCC
InChIInChI=1S/C9H16O/c1-5-9(6-2)8(4)10-7-3/h5-6,8H,1,7H2,2-4H3/b9-6+
InChIKeyRWJVMOJIOSDQSR-RMKNXTFCSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1,2-difluorobut-1-ene
CID 74037990
3,6-bis(1-ethoxyethyl)octa-1,2,6,7-tetraene
CID 10610711
2-ethoxypropanoic acid;methane
CID 160636954
4-ethoxypent-1-ene
CID 12776575
(4E)-4-ethenyl-3-ethylhexa-1,4-diene
CID 123978588
5-ethoxy-6-methylhept-1-en-4-one
CID 116708606
3,3-diethoxyprop-1-ene;prop-2-enoic acid
CID 158513220
1,2,3-triethoxybut-1-enylsilane
CID 173068771
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
sodium 2-ethoxypropanoate
CID 141029681
but-2-ene;ethanol;2-ethoxybutane
CID 173137452
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-ethoxyethyl)penta-1,3-diene?
The IUPAC name of (3E)-3-(1-ethoxyethyl)penta-1,3-diene (CID 143486884) is (3E)-3-(1-ethoxyethyl)penta-1,3-diene.
What is the SMILES notation for (3E)-3-(1-ethoxyethyl)penta-1,3-diene?
The canonical SMILES for (3E)-3-(1-ethoxyethyl)penta-1,3-diene is C=C/C(=C\C)C(C)OCC.
What is the InChIKey of (3E)-3-(1-ethoxyethyl)penta-1,3-diene?
The InChIKey is RWJVMOJIOSDQSR-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H16O/c1-5-9(6-2)8(4)10-7-3/h5-6,8H,1,7H2,2-4H3/b9-6+.
What are the key properties of (3E)-3-(1-ethoxyethyl)penta-1,3-diene?
(3E)-3-(1-ethoxyethyl)penta-1,3-diene has a molecular weight of 140.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-ethoxyethyl)penta-1,3-diene is sourced from PubChem (CID 143486884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).