1-methoxy-1-propoxyhex-3-ene

C10H20O2 — CID 141349600

IUPAC1-methoxy-1-propoxyhex-3-ene
SMILESCCC=CCC(OC)OCCC
InChIInChI=1S/C10H20O2/c1-4-6-7-8-10(11-3)12-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQZEWDAWUKUWLCH-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds7

About 1-methoxy-1-propoxyhex-3-ene

1-methoxy-1-propoxyhex-3-ene (PubChem CID 141349600) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methoxy-1-propoxyhex-3-ene.

Molecular Properties

Compound Name1-methoxy-1-propoxyhex-3-ene
PubChem CID141349600
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-methoxy-1-propoxyhex-3-ene
SMILESCCC=CCC(OC)OCCC
InChIInChI=1S/C10H20O2/c1-4-6-7-8-10(11-3)12-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQZEWDAWUKUWLCH-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-1-propoxypropane
CID 19963975
1-methoxy-1,3-dipropoxypropane
CID 54152160
(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
CID 10879603
1-(1-propoxyethoxy)hex-3-ene
CID 3022828
4-methoxy-4-propoxybutan-1-amine
CID 173191706
(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene
CID 10564737
ethyl 2-propoxyicosa-4,8,11,14,17-pentaenoate
CID 72538088
(E)-1-methoxypent-2-ene;1-methoxypropane
CID 159933268
4-(2,2-dimethoxyethyl)-5-(3-hydroxyoct-5-enylidene)cyclopent-2-en-1-ol
CID 123485534
1-(2-iodo-1-prop-2-enoxyethoxy)propane
CID 10492234
(E)-6,6-dimethoxyhex-3-en-1-ol
CID 163205453
(Z)-6-chloro-1,1-dimethoxyhex-3-ene
CID 163205427

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-propoxyhex-3-ene?
The IUPAC name of 1-methoxy-1-propoxyhex-3-ene (CID 141349600) is 1-methoxy-1-propoxyhex-3-ene.
What is the SMILES notation for 1-methoxy-1-propoxyhex-3-ene?
The canonical SMILES for 1-methoxy-1-propoxyhex-3-ene is CCC=CCC(OC)OCCC.
What is the InChIKey of 1-methoxy-1-propoxyhex-3-ene?
The InChIKey is QZEWDAWUKUWLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-7-8-10(11-3)12-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 1-methoxy-1-propoxyhex-3-ene?
1-methoxy-1-propoxyhex-3-ene has a molecular weight of 172.27 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-propoxyhex-3-ene is sourced from PubChem (CID 141349600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).