8-propoxyoct-2-ene

C11H22O — CID 91802339

IUPAC8-propoxyoct-2-ene
SMILESCC=CCCCCCOCCC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-9-11-12-10-4-2/h3,5H,4,6-11H2,1-2H3
InChIKeyQRCFXOGWYWESTK-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.55
Rot. Bonds8

About 8-propoxyoct-2-ene

8-propoxyoct-2-ene (PubChem CID 91802339) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 8-propoxyoct-2-ene.

Molecular Properties

Compound Name8-propoxyoct-2-ene
PubChem CID91802339
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name8-propoxyoct-2-ene
SMILESCC=CCCCCCOCCC
InChIInChI=1S/C11H22O/c1-3-5-6-7-8-9-11-12-10-4-2/h3,5H,4,6-11H2,1-2H3
InChIKeyQRCFXOGWYWESTK-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.55
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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Related Compounds

(E)-9-propoxynon-2-ene
CID 22172137
(E)-7-propoxyhept-2-ene
CID 173027066
6-propoxyhex-2-ene
CID 90940271
(Z)-13-propoxytridec-5-ene
CID 87204974
8-ethoxyoct-2-ene
CID 91178347
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
(Z)-1-butoxyheptadec-8-ene
CID 87205101
(Z)-icos-2-ene
CID 5352524
1-undec-4-enoxyundec-4-ene
CID 91358832
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
pentadeca-2,10-diene
CID 174048350

Frequently Asked Questions

What is the IUPAC name of 8-propoxyoct-2-ene?
The IUPAC name of 8-propoxyoct-2-ene (CID 91802339) is 8-propoxyoct-2-ene.
What is the SMILES notation for 8-propoxyoct-2-ene?
The canonical SMILES for 8-propoxyoct-2-ene is CC=CCCCCCOCCC.
What is the InChIKey of 8-propoxyoct-2-ene?
The InChIKey is QRCFXOGWYWESTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-6-7-8-9-11-12-10-4-2/h3,5H,4,6-11H2,1-2H3.
What are the key properties of 8-propoxyoct-2-ene?
8-propoxyoct-2-ene has a molecular weight of 170.30 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propoxyoct-2-ene is sourced from PubChem (CID 91802339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).