3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol

C20H34O2 — CID 88804412

IUPAC3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol
SMILESC=CCCCCCC(C=C)OC(O)(C=C)CCCCCC=C
InChIInChI=1S/C20H34O2/c1-5-9-11-13-15-17-19(7-3)22-20(21,8-4)18-16-14-12-10-6-2/h5-8,19,21H,1-4,9-18H2
InChIKeyBVBVDQHYLBFQTR-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.71
Rot. Bonds16

About 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol

3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol (PubChem CID 88804412) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol.

Molecular Properties

Compound Name3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol
PubChem CID88804412
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol
SMILESC=CCCCCCC(C=C)OC(O)(C=C)CCCCCC=C
InChIInChI=1S/C20H34O2/c1-5-9-11-13-15-17-19(7-3)22-20(21,8-4)18-16-14-12-10-6-2/h5-8,19,21H,1-4,9-18H2
InChIKeyBVBVDQHYLBFQTR-UHFFFAOYSA-N
XLogP5.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol?
The IUPAC name of 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol (CID 88804412) is 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol.
What is the SMILES notation for 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol?
The canonical SMILES for 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol is C=CCCCCCC(C=C)OC(O)(C=C)CCCCCC=C.
What is the InChIKey of 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol?
The InChIKey is BVBVDQHYLBFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-5-9-11-13-15-17-19(7-3)22-20(21,8-4)18-16-14-12-10-6-2/h5-8,19,21H,1-4,9-18H2.
What are the key properties of 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol?
3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol has a molecular weight of 306.49 g/mol, XLogP of 5.71, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deca-1,9-dien-3-yloxydeca-1,9-dien-3-ol is sourced from PubChem (CID 88804412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).