3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene

C13H20O2 — CID 10798421

IUPAC3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene
SMILESC=CCO[C@@H](C)C(C=C)(C=C)OCC=C
InChIInChI=1S/C13H20O2/c1-6-10-14-12(5)13(8-3,9-4)15-11-7-2/h6-9,12H,1-4,10-11H2,5H3/t12-/m0/s1
InChIKeyDUBJWWSASKDMFV-LBPRGKRZSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds9

About 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene

3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene (PubChem CID 10798421) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene.

Molecular Properties

Compound Name3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene
PubChem CID10798421
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene
SMILESC=CCO[C@@H](C)C(C=C)(C=C)OCC=C
InChIInChI=1S/C13H20O2/c1-6-10-14-12(5)13(8-3,9-4)15-11-7-2/h6-9,12H,1-4,10-11H2,5H3/t12-/m0/s1
InChIKeyDUBJWWSASKDMFV-LBPRGKRZSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene?
The IUPAC name of 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene (CID 10798421) is 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene.
What is the SMILES notation for 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene?
The canonical SMILES for 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene is C=CCO[C@@H](C)C(C=C)(C=C)OCC=C.
What is the InChIKey of 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene?
The InChIKey is DUBJWWSASKDMFV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20O2/c1-6-10-14-12(5)13(8-3,9-4)15-11-7-2/h6-9,12H,1-4,10-11H2,5H3/t12-/m0/s1.
What are the key properties of 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene?
3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene has a molecular weight of 208.30 g/mol, XLogP of 2.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene is sourced from PubChem (CID 10798421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).