1-(1-propoxyethoxy)hex-3-ene

C11H22O2 — CID 3022828

IUPAC1-(1-propoxyethoxy)hex-3-ene
SMILESCCC=CCCOC(C)OCCC
InChIInChI=1S/C11H22O2/c1-4-6-7-8-10-13-11(3)12-9-5-2/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyXVCPIEQWTJKZIU-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.13
Rot. Bonds8

About 1-(1-propoxyethoxy)hex-3-ene

1-(1-propoxyethoxy)hex-3-ene (PubChem CID 3022828) has the molecular formula C11H22O2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(1-propoxyethoxy)hex-3-ene.

Molecular Properties

Compound Name1-(1-propoxyethoxy)hex-3-ene
PubChem CID3022828
Molecular FormulaC11H22O2
Molecular Weight186.30 g/mol
Exact Mass186.16
IUPAC Name1-(1-propoxyethoxy)hex-3-ene
SMILESCCC=CCCOC(C)OCCC
InChIInChI=1S/C11H22O2/c1-4-6-7-8-10-13-11(3)12-9-5-2/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyXVCPIEQWTJKZIU-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-methoxyhex-3-ene
CID 5364208
ethyl 2-propoxyicosa-4,8,11,14,17-pentaenoate
CID 72538088
(E)-1-(1-ethoxyethoxy)heptadec-8-ene
CID 10496409
1-methoxy-1-propoxyhex-3-ene
CID 141349600
(E)-8-butoxynon-3-ene;ethane
CID 143984498
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
4,4-bis[(Z)-hex-3-enoxy]butanoic acid
CID 159140984
ethyl (5Z,8Z,11Z,14Z,17Z)-2-propoxyicosa-5,8,11,14,17-pentaenoate
CID 59187767
[(E)-hex-3-enyl] 2-chloropropanoate
CID 5463678
(2R,3R)-2,3-dipropoxybutane
CID 118445331
2-ethoxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]acetic acid
CID 87561638

Frequently Asked Questions

What is the IUPAC name of 1-(1-propoxyethoxy)hex-3-ene?
The IUPAC name of 1-(1-propoxyethoxy)hex-3-ene (CID 3022828) is 1-(1-propoxyethoxy)hex-3-ene.
What is the SMILES notation for 1-(1-propoxyethoxy)hex-3-ene?
The canonical SMILES for 1-(1-propoxyethoxy)hex-3-ene is CCC=CCCOC(C)OCCC.
What is the InChIKey of 1-(1-propoxyethoxy)hex-3-ene?
The InChIKey is XVCPIEQWTJKZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-7-8-10-13-11(3)12-9-5-2/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(1-propoxyethoxy)hex-3-ene?
1-(1-propoxyethoxy)hex-3-ene has a molecular weight of 186.30 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propoxyethoxy)hex-3-ene is sourced from PubChem (CID 3022828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).