3-(2-methoxypropan-2-ylperoxy)hept-1-ene

C11H22O3 — CID 14891052

IUPAC3-(2-methoxypropan-2-ylperoxy)hept-1-ene
SMILESC=CC(CCCC)OOC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-6-8-9-10(7-2)13-14-11(3,4)12-5/h7,10H,2,6,8-9H2,1,3-5H3
InChIKeyZJWUGOGQFGJFIU-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.06
Rot. Bonds8

About 3-(2-methoxypropan-2-ylperoxy)hept-1-ene

3-(2-methoxypropan-2-ylperoxy)hept-1-ene (PubChem CID 14891052) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-ylperoxy)hept-1-ene.

Molecular Properties

Compound Name3-(2-methoxypropan-2-ylperoxy)hept-1-ene
PubChem CID14891052
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-(2-methoxypropan-2-ylperoxy)hept-1-ene
SMILESC=CC(CCCC)OOC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-6-8-9-10(7-2)13-14-11(3,4)12-5/h7,10H,2,6,8-9H2,1,3-5H3
InChIKeyZJWUGOGQFGJFIU-UHFFFAOYSA-N
XLogP3.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Octen-3-hydroperoxide
CID 85981774
(Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene
CID 10990642
tributyl-[(Z)-3-(2-methoxypropan-2-ylperoxy)hex-1-enyl]stannane
CID 11113553
6-Methoxyhept-1-ene
CID 90943229
(3R)-3-(methoxymethoxy)hept-1-ene
CID 122548094
3-Oct-1-en-3-ylperoxyoct-1-ene
CID 130429747
3-(Methoxymethoxy)hept-1-ene
CID 175901437
(6S)-6-(methoxymethoxy)hept-1-ene
CID 11040967
3-(2-Methylperoxypropan-2-yloxy)oct-1-ene
CID 88781089

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-ylperoxy)hept-1-ene?
The IUPAC name of 3-(2-methoxypropan-2-ylperoxy)hept-1-ene (CID 14891052) is 3-(2-methoxypropan-2-ylperoxy)hept-1-ene.
What is the SMILES notation for 3-(2-methoxypropan-2-ylperoxy)hept-1-ene?
The canonical SMILES for 3-(2-methoxypropan-2-ylperoxy)hept-1-ene is C=CC(CCCC)OOC(C)(C)OC.
What is the InChIKey of 3-(2-methoxypropan-2-ylperoxy)hept-1-ene?
The InChIKey is ZJWUGOGQFGJFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-8-9-10(7-2)13-14-11(3,4)12-5/h7,10H,2,6,8-9H2,1,3-5H3.
What are the key properties of 3-(2-methoxypropan-2-ylperoxy)hept-1-ene?
3-(2-methoxypropan-2-ylperoxy)hept-1-ene has a molecular weight of 202.29 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-ylperoxy)hept-1-ene is sourced from PubChem (CID 14891052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).