(E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol

C14H26O4 — CID 11010672

IUPAC(E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol
SMILESC=CC(CO)CC/C=C/COCOCOC(C)C
InChIInChI=1S/C14H26O4/c1-4-14(10-15)8-6-5-7-9-16-11-17-12-18-13(2)3/h4-5,7,13-15H,1,6,8-12H2,2-3H3/b7-5+
InChIKeyPZAOVHBXWZNMLC-FNORWQNLSA-N
MW258.36 g/mol
LogP2.49
Rot. Bonds12

About (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol

(E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol (PubChem CID 11010672) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol.

Molecular Properties

Compound Name(E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol
PubChem CID11010672
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol
SMILESC=CC(CO)CC/C=C/COCOCOC(C)C
InChIInChI=1S/C14H26O4/c1-4-14(10-15)8-6-5-7-9-16-11-17-12-18-13(2)3/h4-5,7,13-15H,1,6,8-12H2,2-3H3/b7-5+
InChIKeyPZAOVHBXWZNMLC-FNORWQNLSA-N
XLogP2.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol?
The IUPAC name of (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol (CID 11010672) is (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol.
What is the SMILES notation for (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol?
The canonical SMILES for (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol is C=CC(CO)CC/C=C/COCOCOC(C)C.
What is the InChIKey of (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol?
The InChIKey is PZAOVHBXWZNMLC-FNORWQNLSA-N. The full InChI is InChI=1S/C14H26O4/c1-4-14(10-15)8-6-5-7-9-16-11-17-12-18-13(2)3/h4-5,7,13-15H,1,6,8-12H2,2-3H3/b7-5+.
What are the key properties of (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol?
(E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol has a molecular weight of 258.36 g/mol, XLogP of 2.49, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol is sourced from PubChem (CID 11010672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).