(E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol

C14H26O3 — CID 134832333

IUPAC(E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol
SMILESCCCC/C(=C\CO)CCOC1CCCCO1
InChIInChI=1S/C14H26O3/c1-2-3-6-13(8-10-15)9-12-17-14-7-4-5-11-16-14/h8,14-15H,2-7,9-12H2,1H3/b13-8+
InChIKeyJMASHPOMBVNDKM-MDWZMJQESA-N
MW242.36 g/mol
LogP3.03
Rot. Bonds8

About (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol

(E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol (PubChem CID 134832333) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol
PubChem CID134832333
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol
SMILESCCCC/C(=C\CO)CCOC1CCCCO1
InChIInChI=1S/C14H26O3/c1-2-3-6-13(8-10-15)9-12-17-14-7-4-5-11-16-14/h8,14-15H,2-7,9-12H2,1H3/b13-8+
InChIKeyJMASHPOMBVNDKM-MDWZMJQESA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol?
The IUPAC name of (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol (CID 134832333) is (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol.
What is the SMILES notation for (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol?
The canonical SMILES for (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol is CCCC/C(=C\CO)CCOC1CCCCO1.
What is the InChIKey of (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol?
The InChIKey is JMASHPOMBVNDKM-MDWZMJQESA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-6-13(8-10-15)9-12-17-14-7-4-5-11-16-14/h8,14-15H,2-7,9-12H2,1H3/b13-8+.
What are the key properties of (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol?
(E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(oxan-2-yloxy)ethyl]hept-2-en-1-ol is sourced from PubChem (CID 134832333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).