4-prop-2-enoxyhepta-1,6-diene

C10H16O — CID 87292368

IUPAC4-prop-2-enoxyhepta-1,6-diene
SMILESC=CCOC(CC=C)CC=C
InChIInChI=1S/C10H16O/c1-4-7-10(8-5-2)11-9-6-3/h4-6,10H,1-3,7-9H2
InChIKeyJCTUSCHHMDSZLI-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds7

About 4-prop-2-enoxyhepta-1,6-diene

4-prop-2-enoxyhepta-1,6-diene (PubChem CID 87292368) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-prop-2-enoxyhepta-1,6-diene.

Molecular Properties

Compound Name4-prop-2-enoxyhepta-1,6-diene
PubChem CID87292368
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-prop-2-enoxyhepta-1,6-diene
SMILESC=CCOC(CC=C)CC=C
InChIInChI=1S/C10H16O/c1-4-7-10(8-5-2)11-9-6-3/h4-6,10H,1-3,7-9H2
InChIKeyJCTUSCHHMDSZLI-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-prop-2-enoxyhepta-1,6-diene?
The IUPAC name of 4-prop-2-enoxyhepta-1,6-diene (CID 87292368) is 4-prop-2-enoxyhepta-1,6-diene.
What is the SMILES notation for 4-prop-2-enoxyhepta-1,6-diene?
The canonical SMILES for 4-prop-2-enoxyhepta-1,6-diene is C=CCOC(CC=C)CC=C.
What is the InChIKey of 4-prop-2-enoxyhepta-1,6-diene?
The InChIKey is JCTUSCHHMDSZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-7-10(8-5-2)11-9-6-3/h4-6,10H,1-3,7-9H2.
What are the key properties of 4-prop-2-enoxyhepta-1,6-diene?
4-prop-2-enoxyhepta-1,6-diene has a molecular weight of 152.24 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxyhepta-1,6-diene is sourced from PubChem (CID 87292368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).