3-ethyl-2-prop-1-en-2-yloxyhept-1-ene

C12H22O — CID 91605523

IUPAC3-ethyl-2-prop-1-en-2-yloxyhept-1-ene
SMILESC=C(C)OC(=C)C(CC)CCCC
InChIInChI=1S/C12H22O/c1-6-8-9-12(7-2)11(5)13-10(3)4/h12H,3,5-9H2,1-2,4H3
InChIKeyOWDICNKVBBSVIV-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.27
Rot. Bonds7

About 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene

3-ethyl-2-prop-1-en-2-yloxyhept-1-ene (PubChem CID 91605523) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene.

Molecular Properties

Compound Name3-ethyl-2-prop-1-en-2-yloxyhept-1-ene
PubChem CID91605523
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-ethyl-2-prop-1-en-2-yloxyhept-1-ene
SMILESC=C(C)OC(=C)C(CC)CCCC
InChIInChI=1S/C12H22O/c1-6-8-9-12(7-2)11(5)13-10(3)4/h12H,3,5-9H2,1-2,4H3
InChIKeyOWDICNKVBBSVIV-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene?
The IUPAC name of 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene (CID 91605523) is 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene.
What is the SMILES notation for 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene?
The canonical SMILES for 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene is C=C(C)OC(=C)C(CC)CCCC.
What is the InChIKey of 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene?
The InChIKey is OWDICNKVBBSVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-8-9-12(7-2)11(5)13-10(3)4/h12H,3,5-9H2,1-2,4H3.
What are the key properties of 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene?
3-ethyl-2-prop-1-en-2-yloxyhept-1-ene has a molecular weight of 182.31 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-prop-1-en-2-yloxyhept-1-ene is sourced from PubChem (CID 91605523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).