1-hept-4-en-2-yloxyhex-3-en-1-ol

C13H24O2 — CID 57122085

IUPAC1-hept-4-en-2-yloxyhex-3-en-1-ol
SMILESCCC=CCC(C)OC(O)CC=CCC
InChIInChI=1S/C13H24O2/c1-4-6-8-10-12(3)15-13(14)11-9-7-5-2/h6-9,12-14H,4-5,10-11H2,1-3H3
InChIKeyDNMHAELHMVFHJX-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.42
Rot. Bonds8

About 1-hept-4-en-2-yloxyhex-3-en-1-ol

1-hept-4-en-2-yloxyhex-3-en-1-ol (PubChem CID 57122085) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-hept-4-en-2-yloxyhex-3-en-1-ol.

Molecular Properties

Compound Name1-hept-4-en-2-yloxyhex-3-en-1-ol
PubChem CID57122085
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-hept-4-en-2-yloxyhex-3-en-1-ol
SMILESCCC=CCC(C)OC(O)CC=CCC
InChIInChI=1S/C13H24O2/c1-4-6-8-10-12(3)15-13(14)11-9-7-5-2/h6-9,12-14H,4-5,10-11H2,1-3H3
InChIKeyDNMHAELHMVFHJX-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hept-4-en-2-yloxyhex-3-en-1-ol?
The IUPAC name of 1-hept-4-en-2-yloxyhex-3-en-1-ol (CID 57122085) is 1-hept-4-en-2-yloxyhex-3-en-1-ol.
What is the SMILES notation for 1-hept-4-en-2-yloxyhex-3-en-1-ol?
The canonical SMILES for 1-hept-4-en-2-yloxyhex-3-en-1-ol is CCC=CCC(C)OC(O)CC=CCC.
What is the InChIKey of 1-hept-4-en-2-yloxyhex-3-en-1-ol?
The InChIKey is DNMHAELHMVFHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-8-10-12(3)15-13(14)11-9-7-5-2/h6-9,12-14H,4-5,10-11H2,1-3H3.
What are the key properties of 1-hept-4-en-2-yloxyhex-3-en-1-ol?
1-hept-4-en-2-yloxyhex-3-en-1-ol has a molecular weight of 212.33 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-4-en-2-yloxyhex-3-en-1-ol is sourced from PubChem (CID 57122085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).