1-prop-1-enoxyhex-1-ene

C9H16O — CID 57015059

IUPAC1-prop-1-enoxyhex-1-ene
SMILESCC=COC=CCCCC
InChIInChI=1S/C9H16O/c1-3-5-6-7-9-10-8-4-2/h4,7-9H,3,5-6H2,1-2H3
InChIKeyQJICYSDEOZKWPU-UHFFFAOYSA-N
MW140.23 g/mol
LogP3.24
Rot. Bonds5

About 1-prop-1-enoxyhex-1-ene

1-prop-1-enoxyhex-1-ene (PubChem CID 57015059) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-prop-1-enoxyhex-1-ene.

Molecular Properties

Compound Name1-prop-1-enoxyhex-1-ene
PubChem CID57015059
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-prop-1-enoxyhex-1-ene
SMILESCC=COC=CCCCC
InChIInChI=1S/C9H16O/c1-3-5-6-7-9-10-8-4-2/h4,7-9H,3,5-6H2,1-2H3
InChIKeyQJICYSDEOZKWPU-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-prop-1-enoxyhex-1-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

1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
1-ethoxyhex-1-ene
CID 53422434
(2E,7E)-dodeca-2,7-diene
CID 173295735
hept-2-ene;methanol
CID 135236025
1-nona-1,3-dienoxynona-1,3-diene
CID 57138043
[(Z)-dec-1-enyl] formate
CID 10954216
pentadeca-2,10-diene
CID 174048350
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786
(E)-1-[(Z)-but-1-enoxy]pent-1-ene
CID 173340391
1-butoxyocta-1,6-diene
CID 87963042
hex-1-enoxy(trimethyl)silane
CID 12658886

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enoxyhex-1-ene?
The IUPAC name of 1-prop-1-enoxyhex-1-ene (CID 57015059) is 1-prop-1-enoxyhex-1-ene.
What is the SMILES notation for 1-prop-1-enoxyhex-1-ene?
The canonical SMILES for 1-prop-1-enoxyhex-1-ene is CC=COC=CCCCC.
What is the InChIKey of 1-prop-1-enoxyhex-1-ene?
The InChIKey is QJICYSDEOZKWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-6-7-9-10-8-4-2/h4,7-9H,3,5-6H2,1-2H3.
What are the key properties of 1-prop-1-enoxyhex-1-ene?
1-prop-1-enoxyhex-1-ene has a molecular weight of 140.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enoxyhex-1-ene is sourced from PubChem (CID 57015059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).