(E)-1-(3-methoxypropoxy)hex-3-ene

C10H20O2 — CID 118978200

IUPAC(E)-1-(3-methoxypropoxy)hex-3-ene
SMILESCC/C=C/CCOCCCOC
InChIInChI=1S/C10H20O2/c1-3-4-5-6-9-12-10-7-8-11-2/h4-5H,3,6-10H2,1-2H3/b5-4+
InChIKeyJWVQOVJDVITQSQ-SNAWJCMRSA-N
MW172.27 g/mol
LogP2.40
Rot. Bonds8

About (E)-1-(3-methoxypropoxy)hex-3-ene

(E)-1-(3-methoxypropoxy)hex-3-ene (PubChem CID 118978200) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-1-(3-methoxypropoxy)hex-3-ene.

Molecular Properties

Compound Name(E)-1-(3-methoxypropoxy)hex-3-ene
PubChem CID118978200
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-1-(3-methoxypropoxy)hex-3-ene
SMILESCC/C=C/CCOCCCOC
InChIInChI=1S/C10H20O2/c1-3-4-5-6-9-12-10-7-8-11-2/h4-5H,3,6-10H2,1-2H3/b5-4+
InChIKeyJWVQOVJDVITQSQ-SNAWJCMRSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-methoxyhex-3-ene
CID 5364208
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
(Z)-7-ethoxyhept-3-ene
CID 89382132
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
2-[4-[(E)-hex-3-enoxy]butyl]oxirane
CID 22768288
(Z)-1-methoxynon-4-ene
CID 59123720
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
(E)-18-ethoxyoctadec-3-ene
CID 6437683
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
(E)-1-methoxyhept-3-ene
CID 13049937
1-butoxy-4-methoxybutane
CID 13082830

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methoxypropoxy)hex-3-ene?
The IUPAC name of (E)-1-(3-methoxypropoxy)hex-3-ene (CID 118978200) is (E)-1-(3-methoxypropoxy)hex-3-ene.
What is the SMILES notation for (E)-1-(3-methoxypropoxy)hex-3-ene?
The canonical SMILES for (E)-1-(3-methoxypropoxy)hex-3-ene is CC/C=C/CCOCCCOC.
What is the InChIKey of (E)-1-(3-methoxypropoxy)hex-3-ene?
The InChIKey is JWVQOVJDVITQSQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-6-9-12-10-7-8-11-2/h4-5H,3,6-10H2,1-2H3/b5-4+.
What are the key properties of (E)-1-(3-methoxypropoxy)hex-3-ene?
(E)-1-(3-methoxypropoxy)hex-3-ene has a molecular weight of 172.27 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methoxypropoxy)hex-3-ene is sourced from PubChem (CID 118978200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).