6-propoxyhex-2-ene

C9H18O — CID 90940271

IUPAC6-propoxyhex-2-ene
SMILESCC=CCCCOCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h3,5H,4,6-9H2,1-2H3
InChIKeyQZIVTQWRXKKFPR-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds6

About 6-propoxyhex-2-ene

6-propoxyhex-2-ene (PubChem CID 90940271) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 6-propoxyhex-2-ene.

Molecular Properties

Compound Name6-propoxyhex-2-ene
PubChem CID90940271
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name6-propoxyhex-2-ene
SMILESCC=CCCCOCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h3,5H,4,6-9H2,1-2H3
InChIKeyQZIVTQWRXKKFPR-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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'}

Analyze 6-propoxyhex-2-ene 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

(E)-7-propoxyhept-2-ene
CID 173027066
(E)-9-propoxynon-2-ene
CID 22172137
8-propoxyoct-2-ene
CID 91802339
8-ethoxyoct-2-ene
CID 91178347
(Z)-13-propoxytridec-5-ene
CID 87204974
1-undec-4-enoxyundec-4-ene
CID 91358832
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
(Z)-oct-2-ene
CID 5356796
(2E,7E)-dodeca-2,7-diene
CID 173295735
(Z)-icos-2-ene
CID 5352524
hept-2-ene;methanol
CID 135236025

Frequently Asked Questions

What is the IUPAC name of 6-propoxyhex-2-ene?
The IUPAC name of 6-propoxyhex-2-ene (CID 90940271) is 6-propoxyhex-2-ene.
What is the SMILES notation for 6-propoxyhex-2-ene?
The canonical SMILES for 6-propoxyhex-2-ene is CC=CCCCOCCC.
What is the InChIKey of 6-propoxyhex-2-ene?
The InChIKey is QZIVTQWRXKKFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h3,5H,4,6-9H2,1-2H3.
What are the key properties of 6-propoxyhex-2-ene?
6-propoxyhex-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxyhex-2-ene is sourced from PubChem (CID 90940271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).