3-non-1-en-3-yloxynon-1-ene

C18H34O — CID 19011324

IUPAC3-non-1-en-3-yloxynon-1-ene
SMILESC=CC(CCCCCC)OC(C=C)CCCCCC
InChIInChI=1S/C18H34O/c1-5-9-11-13-15-17(7-3)19-18(8-4)16-14-12-10-6-2/h7-8,17-18H,3-6,9-16H2,1-2H3
InChIKeyGBVOKMWHWKTDAP-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.05
Rot. Bonds14

About 3-non-1-en-3-yloxynon-1-ene

3-non-1-en-3-yloxynon-1-ene (PubChem CID 19011324) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-non-1-en-3-yloxynon-1-ene.

Molecular Properties

Compound Name3-non-1-en-3-yloxynon-1-ene
PubChem CID19011324
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name3-non-1-en-3-yloxynon-1-ene
SMILESC=CC(CCCCCC)OC(C=C)CCCCCC
InChIInChI=1S/C18H34O/c1-5-9-11-13-15-17(7-3)19-18(8-4)16-14-12-10-6-2/h7-8,17-18H,3-6,9-16H2,1-2H3
InChIKeyGBVOKMWHWKTDAP-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-non-1-en-3-yloxynon-1-ene?
The IUPAC name of 3-non-1-en-3-yloxynon-1-ene (CID 19011324) is 3-non-1-en-3-yloxynon-1-ene.
What is the SMILES notation for 3-non-1-en-3-yloxynon-1-ene?
The canonical SMILES for 3-non-1-en-3-yloxynon-1-ene is C=CC(CCCCCC)OC(C=C)CCCCCC.
What is the InChIKey of 3-non-1-en-3-yloxynon-1-ene?
The InChIKey is GBVOKMWHWKTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-5-9-11-13-15-17(7-3)19-18(8-4)16-14-12-10-6-2/h7-8,17-18H,3-6,9-16H2,1-2H3.
What are the key properties of 3-non-1-en-3-yloxynon-1-ene?
3-non-1-en-3-yloxynon-1-ene has a molecular weight of 266.47 g/mol, XLogP of 6.05, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-non-1-en-3-yloxynon-1-ene is sourced from PubChem (CID 19011324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).