1-non-6-en-4-yloxyhex-3-en-1-ol

C15H28O2 — CID 57215812

IUPAC1-non-6-en-4-yloxyhex-3-en-1-ol
SMILESCCC=CCC(O)OC(CC=CCC)CCC
InChIInChI=1S/C15H28O2/c1-4-7-9-12-14(11-6-3)17-15(16)13-10-8-5-2/h7-10,14-16H,4-6,11-13H2,1-3H3
InChIKeyKXMGJTFYIFWHFO-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.20
Rot. Bonds10

About 1-non-6-en-4-yloxyhex-3-en-1-ol

1-non-6-en-4-yloxyhex-3-en-1-ol (PubChem CID 57215812) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-non-6-en-4-yloxyhex-3-en-1-ol.

Molecular Properties

Compound Name1-non-6-en-4-yloxyhex-3-en-1-ol
PubChem CID57215812
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-non-6-en-4-yloxyhex-3-en-1-ol
SMILESCCC=CCC(O)OC(CC=CCC)CCC
InChIInChI=1S/C15H28O2/c1-4-7-9-12-14(11-6-3)17-15(16)13-10-8-5-2/h7-10,14-16H,4-6,11-13H2,1-3H3
InChIKeyKXMGJTFYIFWHFO-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.20
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'}

Analyze 1-non-6-en-4-yloxyhex-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol
CID 10889316
(Z)-9,9-dimethoxynon-3-en-1-ol
CID 163205835
6-[(E)-but-2-enyl]oxan-2-ol
CID 130128991
7-(3-Ethyloxiran-2-yl)hept-5-en-3-ol
CID 170848463
(Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene
CID 10922846
(Z)-1,1-di(propan-2-yloxy)non-3-ene
CID 14236951
(Z)-6,6-diethoxyhex-3-en-1-ol
CID 10607653
(Z)-1,1-diethoxydec-7-en-4-ol
CID 14078616
(E)-5-(1-ethoxyethoxy)non-2-ene
CID 20266220
1-[(E)-oct-5-en-3-yl]oxyethanol
CID 22035497
1,1-Diethoxydec-7-en-4-ol
CID 53719370
2-Ethyl-1-hex-5-en-3-yloxybut-3-en-1-ol
CID 53960609

Frequently Asked Questions

What is the IUPAC name of 1-non-6-en-4-yloxyhex-3-en-1-ol?
The IUPAC name of 1-non-6-en-4-yloxyhex-3-en-1-ol (CID 57215812) is 1-non-6-en-4-yloxyhex-3-en-1-ol.
What is the SMILES notation for 1-non-6-en-4-yloxyhex-3-en-1-ol?
The canonical SMILES for 1-non-6-en-4-yloxyhex-3-en-1-ol is CCC=CCC(O)OC(CC=CCC)CCC.
What is the InChIKey of 1-non-6-en-4-yloxyhex-3-en-1-ol?
The InChIKey is KXMGJTFYIFWHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-7-9-12-14(11-6-3)17-15(16)13-10-8-5-2/h7-10,14-16H,4-6,11-13H2,1-3H3.
What are the key properties of 1-non-6-en-4-yloxyhex-3-en-1-ol?
1-non-6-en-4-yloxyhex-3-en-1-ol has a molecular weight of 240.39 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-non-6-en-4-yloxyhex-3-en-1-ol is sourced from PubChem (CID 57215812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).